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Theoretical chemistry

Index Theoretical chemistry

Theoretical chemistry is a branch of chemistry, which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry, for example, the concept of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, molecule activation etc. [1]

202 relations: A. David Buckingham, Abdul Hafeez (chemist), Ad van der Avoird, Adolf von Baeyer, Adrian V. Stokes, Alberte Pullman, Alexander Dalgarno, Alexandru Balaban, Ali Alavi, Amalendu Chandra, Ames Laboratory, Atomic, molecular, and optical physics, Au-Chin Tang, August Kekulé, Basis set (chemistry), Berlin-Brandenburg Academy Award, Bernard Pullman, Bernd Michael Rode, Bernhard Schrader, Bidyendu Mohan Deb, Biman Bagchi, Biomolecular structure, Bulletin of the Chemical Society of Japan, Centre for High Energy Physics, Charles Coulson, Charusita Chakravarty, Chemical reaction network theory, Chemist, Chemistry, Christopher Longuet-Higgins, Computational and Theoretical Chemistry, Computational chemistry, COSMO solvation model, Coulson–Fischer theory, Dalandanan National High School, Danish Chemical Society, David Clary, David Logan (chemist), David W. Oxtoby, Debashis Mukherjee, Defining equation (physical chemistry), Department of Chemistry, University of Cambridge, Dewar reactivity number, Donald Truhlar, Dudley, E. D. Jemmis, Edward Harrison Memorial Prize, EOn, Eric J. Heller, Eric R. Bittner, ..., Ernest R. Davidson, Frank Neese, Fritz Haber Institute of the Max Planck Society, Garikapati Narahari Sastry, Geerd Diercksen, George C. Schatz, George E. Kimball, George G. Hall, George S. Hammond, Gilles Klopman, Glauber, Gottfried Wilhelm Leibniz Prize, Graham Richards, Gunnar von Heijne, Henry F. Schaefer III, Hermann Franz Moritz Kopp, Hermann Hartmann, Igor V. Komarov, Indian Institute of Science Education and Research, Thiruvananthapuram, Inga Fischer-Hjalmars, Inorganic chemistry, Institute of Space and Planetary Astrophysics, Intruder state, Isaiah Shavitt, Ivan Gutman, J. Anthony Hall, Jacobus Henricus van 't Hoff, Jayaraman Chandrasekhar, Jürgen Gauß, Jean-Claude Lorquet, John C. Tully, John Humphrey Plummer Professor of Theoretical Chemistry, John Lennard-Jones, John Pople, John Wilfrid Linnett, Jos Verhulst, Joshua Jortner, Karl Gotthelf Lehmann, Kenneth Pitzer, Kenneth Ruud, Kołos Medal, Lasse Jensen, Leopold von Pebal, Leslie Orgel, Leticia González, Library of Congress Classification:Class Q -- Science, Linus Pauling, List of academic fields, List of atheists in science and technology, List of Belgians, List of chemical compounds with unusual names, List of chemists, List of fields of doctoral studies in the United States, List of Old Bristolians, List of people from Mississippi, List of Shanti Swarup Bhatnagar Prize recipients, List of Turkish philosophers and scientists, List of University of Florida alumni, List of University of Szeged people, Lorenz S. Cederbaum, Lucky Star (manga), Mark S Gordon, Marta Filizola, Martin Head-Gordon, Martin Karplus, Mary Jo Ondrechen, Max Planck Institute for Coal Research, Michael J. S. Dewar, Michael P. Barnett, Michael Zerner, Millard H. Alexander, Modelling biological systems, Molecular engineering, Molecular physics, Molecule, Mormon Scientist, Naba Kishore Ray, Nancy Makri, Nicholas C. Handy, Nihat Berker, Noel Hush, North Campus (University of Copenhagen), Odile Eisenstein, Oganesson, Oktay Sinanoğlu, Oleg Prezhdo, Organic and Biomolecular Chemistry, Orlin D. Velev, Otto Chr. Bastiansen, Outline of academic disciplines, Outline of chemistry, Outline of physical science, P. T. Narasimhan, Péter Surján, Peter Guy Wolynes, Peter Pulay, Peter Schuster, Piotr Piecuch, Poul Jørgensen (chemist), Protein structure prediction, Quantum biology, Ralph Raphael, Raymond Daudel, Reinhart Ahlrichs, Richard A. Friesner, Richard Stratt, Roald Hoffmann, Robert E. Wyatt, Robert J. Harrison, Robert Parr, Rodney J. Bartlett, Ronnie Kosloff, Ross H. McKenzie, Roy McWeeny, Russell J. Boyd, Russell M. Pitzer, S. Francis Boys, S. M. Blinder, Sally Price (chemist), School of Chemistry, UNAM, Scientist, Shridhar Ramachandra Gadre, Sigrid D. Peyerimhoff, Stuart A. Rice, Sullivan Upper School, Sven Josef Cyvin, Synnøve Liaaen Jensen, Tetranitrogen, The central science, The Search for Truth, Theoretical Chemistry Accounts, Todd Martinez, Tony Orchard, Topology (chemistry), Ulla Mitzdorf, Ulmas Mirsaidovich Mirsaidov, Vibronic coupling, Viktor von Lang, Walter Kohn, Walter Thiel (chemist), Weitao Yang, Werner Kutzelnigg, Wet chemistry, William Hughes Miller, William Lipscomb, World Association of Theoretical and Computational Chemists, Yuri Berlin, 1920 in France, 1925 in science, 1930 in science, 2-Pyridone, 2006 in France. Expand index (152 more) »

A. David Buckingham

Amyand David Buckingham, CBE, FRS, FAA (born 28 January 1930 in Pymble, Sydney, New South Wales, Australia) is a chemist, with primary expertise in chemical physics.

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Abdul Hafeez (chemist)

Abdul Hafeez was a Pakistani weapons scientist and radiochemist.

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Ad van der Avoird

Ad van der Avoird (born 19 April 1943) is a Dutch theoretical chemist.

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Adolf von Baeyer

Johann Friedrich Wilhelm Adolf von Baeyer (31 October 1835 – 20 August 1917) was a German chemist who synthesised indigo, developed a nomenclature for cyclic compounds (that was subsequently extended and adopted as part of the IUPAC organic nomenclature).

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Adrian V. Stokes

Adrian V Stokes (born 25 June 1945) is one of the founders of the internet including the first implementation of email in the UK.

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Alberte Pullman

Alberte Pullman (née Bucher) (August 26, 1920 – January 7, 2011).

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Alexander Dalgarno

Alexander Dalgarno FRS (5 January 1928 – 9 April 2015) was a British physicist who was a Phillips Professor of Astronomy at Harvard University.

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Alexandru Balaban

Alexandru T. Balaban (born April 2, 1931) is a chemist who significantly contributed to the fields of organic chemistry, theoretical chemistry, mathematical chemistry, and chemical graph theory.

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Ali Alavi

Ali Alavi FRS is a professor of theoretical chemistry in the Department of Chemistry at the University of Cambridge and a Director of the Max Planck Institute for Solid State Research in Stuttgart.

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Amalendu Chandra

Amalendu Chandra (born 1963) is an Indian theoretical physical chemist, a professor and the head of the Department of Chemistry at the Indian Institute of Technology, Kanpur.

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Ames Laboratory

Ames Laboratory is a United States Department of Energy national laboratory located in Ames, Iowa and affiliated with Iowa State University.

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Atomic, molecular, and optical physics

Atomic, molecular, and optical physics (AMO) is the study of matter-matter and light-matter interactions; at the scale of one or a few atoms and energy scales around several electron volts.

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Au-Chin Tang

1915-2008, Ph.D. Columbia University, professor of theoretical chemistry, quantum chemistry, president of Jilin University (1978–1986), a member of, IAQMS, first director of Jilin University Department of Chemistry (from 1952), a member of Chinese Academy of Science.

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August Kekulé

Friedrich August Kekulé, later Friedrich August Kekule von Stradonitz (7 September 1829 – 13 July 1896), was a German organic chemist.

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Basis set (chemistry)

A basis set in theoretical and computational chemistry is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer.

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Berlin-Brandenburg Academy Award

The Berlin-Brandenburg Academy of Sciences and Humanities annually bestows its Akademiepreis ("Academy Award"), a science prize worth 30,000 euros, to a "distinguished scientist whose research achievements have opened new and promising lines of research.", Preise der Berlin-Brandenburgischen Akademie der Wissenschaften (in German), retrieved 2010-02-06.

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Bernard Pullman

Bernard Pullman (19 March 1919, Wloclawek Poland – 9 June 1996) was a French theoretical quantum chemist and quantum biochemist.

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Bernd Michael Rode

Bernd Michael Rode (born July 14, 1946 in Innsbruck, Austria) is an Austrian Professor of Chemistry at the University of Innsbruck and founder of the Austrian-South-East-Asian Academic University Network (ASEA-UNINET).

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Bernhard Schrader

Bernhard Schrader (15 March 1931 in Quedlinburg, Germany – 8 January 2012 in Essen, Germany) was a German professor of Theoretical and Physical Chemistry and teaching until his retirement in 1996 at the University of Essen.

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Bidyendu Mohan Deb

Bidyendu Mohan Deb (born 1942) is an Indian theoretical chemist, chemical physicist and a professor at the Indian Institute of Science Education and Research, Kolkata (IISER).

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Biman Bagchi

Biman Bagchi (born 1954) is an Indian biophysical chemist, theoretical chemist and an Amrut Mody Professor at the Solid State and Structural Chemistry Unit of the Indian Institute of Science.

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Biomolecular structure

Biomolecular structure is the intricate folded, three-dimensional shape that is formed by a molecule of protein, DNA, or RNA, and that is important to its function.

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Bulletin of the Chemical Society of Japan

Founded in 1926, the Bulletin of the Chemical Society of Japan is a scientific journal published by the Chemical Society of Japan.

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Centre for High Energy Physics

The Centre for High Energy Physics at the Punjab University, commonly referred to as CHEP, is a national research institute for High-energy physics (or Particle physics), a branch of fundamental Physics.

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Charles Coulson

Charles Alfred Coulson (13 December 1910 – 7 January 1974) was a British applied mathematician, theoretical chemist and religious author.

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Charusita Chakravarty

Charusita Chakravarty (5 May 1964 – 29 March 2016) was an Indian academic and scientist.

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Chemical reaction network theory

Chemical reaction network theory is an area of applied mathematics that attempts to model the behaviour of real world chemical systems.

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Chemist

A chemist (from Greek chēm (ía) alchemy; replacing chymist from Medieval Latin alchimista) is a scientist trained in the study of chemistry.

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Chemistry

Chemistry is the scientific discipline involved with compounds composed of atoms, i.e. elements, and molecules, i.e. combinations of atoms: their composition, structure, properties, behavior and the changes they undergo during a reaction with other compounds.

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Christopher Longuet-Higgins

Hugh Christopher Longuet-Higgins (April 11, 1923 – March 27, 2004) was both a theoretical chemist and a cognitive scientist.

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Computational and Theoretical Chemistry

Computational and Theoretical Chemistry is a peer-reviewed scientific journal published by Elsevier.

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Computational chemistry

Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems.

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COSMO solvation model

COSMO is the abbreviation for "COnductor-like Screening MOdel", a calculation method for determining the electrostatic interaction of a molecule with a solvent.

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Coulson–Fischer theory

In theoretical chemistry and molecular physics, Coulson–Fischer theory provides a quantum mechanical description of the electronic structure of molecules.

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Dalandanan National High School

Dalandanan National High School is a secondary school in Valenzuela City.

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Danish Chemical Society

The Danish Chemical Society (Kemisk Forening) was founded in 1879.

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David Clary

Sir David Charles Clary, FRS (born 14 January 1953) is a British theoretical chemist.

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David Logan (chemist)

Professor David Edwin Logan (born 27 August 1956)' is a Northern Irish chemist, and has been Coulson Professor of Theoretical Chemistry at the University of Oxford since 2005.

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David W. Oxtoby

David William Oxtoby is an American academic who served as the ninth president of Pomona College.

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Debashis Mukherjee

Debashis Mukherjee is a theoretical chemist, well known for his research in the fields of molecular many body theory, theoretical spectroscopy, finite temperature non-perturbative many body theories.

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Defining equation (physical chemistry)

In physical chemistry, there are numerous quantities associated with chemical compounds and reactions; notably in terms of amounts of substance, activity or concentration of a substance, and the rate of reaction.

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Department of Chemistry, University of Cambridge

The Department of Chemistry at the University of Cambridge is the chemistry department of the University of Cambridge.

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Dewar reactivity number

In Hückel theory, a Dewar reactivity number, also known as Dewar number, is a measure of the reactivity in aromatic systems.

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Donald Truhlar

Donald G. Truhlar is an American scientist working in theoretical and computational chemistry and chemical physics with special emphases on quantum mechanics and chemical dynamics.

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Dudley

Dudley is a large town in the county of West Midlands, England, south-east of Wolverhampton and north-west of Birmingham.

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E. D. Jemmis

Eluvathingal Devassy Jemmis or E. D. Jemmis (born October 31, 1951) is a Professor of theoretical chemistry at the Indian Institute of Science, Bangalore, India.

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Edward Harrison Memorial Prize

The Edward Harrison Memorial Prize was awarded from 1926 to 1979 by the Chemical Society and from 1980 to 2007 by its successor the Royal Society of Chemistry to a British chemist who was under 32 years, and working the fields of theoretical or physical chemistry.

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EOn

eOn was a distributed computing project for the BOINC client, which uses theoretical chemistry techniques to solve problems in condensed matter physics and materials science.

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Eric J. Heller

Eric J. "Rick" Heller (born January 10, 1946) is the Abbott and James Lawrence Professor of Chemistry and Professor of Physics at Harvard University.

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Eric R. Bittner

Eric R. Bittner, FRSC is a theoretical chemist, physicist, and distinguished professor of chemical physics at the University of Houston.

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Ernest R. Davidson

Ernest R. Davidson, born October 12, 1936 in Terre Haute, Indiana, is Professor of Chemistry, University of Washington, Seattle, WA, US.

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Frank Neese

Frank Neese (born 13 December 1967) is a German theoretical chemist at the University of Bonn.

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Fritz Haber Institute of the Max Planck Society

The Fritz Haber Institute of the Max Planck Society (FHI) is a science research institute located at the heart of the academic district of Dahlem, in Berlin, Germany.

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Garikapati Narahari Sastry

Garikapati Narahari Sastry is an Indian chemist.

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Geerd Diercksen

Geerd Heinrich Friedrich Diercksen (25 March 1936 in Hannover) is a German theoretical chemist and a pioneer in computational chemistry.

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George C. Schatz

George C. Schatz (born April 14, 1949) is a theoretical chemist best known for his seminal contributions to the field of reaction dynamics.

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George E. Kimball

George Elbert Kimball (July 12, 1906 – December 6, 1967) was an American professor of quantum chemistry, and a pioneer of operations research algorithms during World War II.

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George G. Hall

George Garfield Hall (born 5 March 1925-6th May 2018), is a Northern Irish applied mathematician known for original work and contributions to the field of Quantum chemistry.

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George S. Hammond

George Simms Hammond (May 22, 1921 – October 5, 2005) was an American scientist and theoretical chemist who developed "Hammond's postulate", and fathered organic photochemistry,–the general theory of the geometric structure of the transition state in an organic chemical reaction.

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Gilles Klopman

Gilles Klopman (February 24, 1933 – January 10, 2015) was the Charles F. Mabery Professor of Research in Chemistry, Oncology and Environmental Health Sciences Director of the Laboratory for Decision Support Methodologies at Case Western Reserve University in Cleveland, Ohio, and Adjunct Professor of Environmental and Occupational Health, (University of Pittsburgh) Dr.

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Glauber

Glauber is a scientific discovery method written in the context of computational philosophy of science.

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Gottfried Wilhelm Leibniz Prize

The Gottfried Wilhelm Leibniz Prize is a program of the Deutsche Forschungsgemeinschaft (the German Research Foundation) which awards prizes “to exceptional scientists and academics for their outstanding achievements in the field of research.” It was established in 1985 and up to ten prizes are awarded annually to individuals or research groups working at a research institution in Germany or at a German research institution abroad.

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Graham Richards

(William) Graham Richards FRS, CBE, CChem, HonFRSC (born 1 October 1939; Hoylake, Cheshire, United Kingdom) was Head of Chemistry at the University of Oxford from 1997 to 2006 and is now an Emeritus Fellow of Brasenose College, Oxford.

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Gunnar von Heijne

Professor Nils Gunnar Hansson von Heijne, born June 10, 1951 in Gothenburg, is a Swedish scientist working on signal peptides, membrane proteins and bioinformatics at the Stockholm Center for Biomembrane Research at Stockholm University.

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Henry F. Schaefer III

Henry "Fritz" Schaefer III (born June 8, 1944) is a computational and theoretical chemist.

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Hermann Franz Moritz Kopp

Hermann Franz Moritz Kopp (30 October 1817 – 20 February 1892), German chemist, was born at Hanau, where his father, Johann Heinrich Kopp (1777–1858), a physician, was professor of chemistry, physics and natural history at the local lyceum.

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Hermann Hartmann

Hermann Hartmann (May 4, 1914 – October 22, 1984) was a German chemist and professor and researcher in physical and theoretical chemistry at the University of Frankfurt am Main.

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Igor V. Komarov

Igor Volodymyrovych Komarov is a Ukrainian synthetic organic chemist, specializing in medicinal chemistry and nanotechnology, Professor, Doctor of Chemical Sciences.

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Indian Institute of Science Education and Research, Thiruvananthapuram

The Indian Institute of Science Education and Research, Thiruvananthapuram (IISER Thiruvananthapuram or IISER-TVM) is one of seven IISERs, institutes established by the Ministry of Human Resource Development, Government of India.

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Inga Fischer-Hjalmars

Inga Fischer-Hjalmars (née Fischer; 16 January 1918, Stockholm - 17 September 2008, Lidingö) was an internationally acclaimed Swedish physicist, chemist, pharmacist, humanist, and a pioneer in quantum chemistry.

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Inorganic chemistry

Inorganic chemistry deals with the synthesis and behavior of inorganic and organometallic compounds.

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Institute of Space and Planetary Astrophysics

The Institute of Space and Planetary Astrophysics, also known as by its abbreviation ISPA, is a premier and national research institute of the University of Karachi, engaging the theoretical and applied studies and research into topics pertaining to Astronomy, Astrophysics, Satellite Communication, Space Flight Dynamics, Atmospheric Science, Climatology, GIS & Remote Sensing and other related subjects.

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Intruder state

In quantum and theoretical chemistry, an intruder state is a particular situation arising in perturbative evaluations, where the energy of the perturbers is comparable in magnitude to the energy associated to the zero order wavefunction.

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Isaiah Shavitt

Isaiah Shavitt was a Polish-born Israeli and American theoretical chemist.

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Ivan Gutman

Ivan Gutman (born in 1947) is a Serbian chemist and mathematician.

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J. Anthony Hall

J.

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Jacobus Henricus van 't Hoff

Jacobus Henricus van 't Hoff, Jr. (30 August 1852 – 1 March 1911) was a Dutch physical chemist.

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Jayaraman Chandrasekhar

Jayaraman Chandrasekhar (born 1952) is an Indian computational chemist and a former professor at the department of organic chemistry of the Indian Institute of Science.

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Jürgen Gauß

Jürgen Gauß (Juergen Gauss) is a German theoretical chemist.

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Jean-Claude Lorquet

Jean-Claude Lorquet (born 19 September 1935) is a professor of Theoretical Chemistry at the University of Liège.

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John C. Tully

John C. Tully is a theoretical chemist, Sterling Professor of Chemistry at Yale University.

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John Humphrey Plummer Professor of Theoretical Chemistry

The John Humphrey Plummer Professorship of Theoretical Chemistry was established in 1932 from a bequest of £200,000 under the will of John Humphrey Plummer, an estate agent of Southport, to the University of Cambridge for the advancement of science.

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John Lennard-Jones

Sir John Edward Lennard-Jones KBE, FRS (27 October 1894 – 1 November 1954) was an English mathematician who was a professor of theoretical physics at University of Bristol, and then of theoretical science at the University of Cambridge.

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John Pople

Sir John Anthony Pople, (31 October 1925 – 15 March 2004) was a British theoretical chemist who was awarded the Nobel Prize in Chemistry with Walter Kohn in 1998 for his development of computational methods in quantum chemistry.

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John Wilfrid Linnett

John Wilfrid Linnett FRS (3 August 1913 – 7 November 1975) was Vice-Chancellor at the University of Cambridge from 1973 to 1975.

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Jos Verhulst

Jos Verhulst (born 29 May 1949, in Londerzeel, Belgium) is a Belgian chemist (PhD in theoretical chemistry earned at the University of Leuven), writer and direct democracy activist.

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Joshua Jortner

Joshua Jortner (Hebrew: יהושע יורטנר) (March 14, 1933) is an Israeli physical chemist.

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Karl Gotthelf Lehmann

Karl Gotthelf Lehmann (7 March 1812 in Leipzig – 6 January 1863 in Jena) was a German physiological chemist.

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Kenneth Pitzer

Kenneth Sanborn Pitzer (January 6, 1914 – December 26, 1997) was an American physical and theoretical chemist, educator, and university president.

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Kenneth Ruud

Kenneth Ruud (born 16 September 1969) is a Norwegian chemist.

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Kołos Medal

The Kołos Medal (Polish: Medal im. Włodzimierza Kołosa) is a prestigious medal awarded every two years by the University of Warsaw and the Polish Chemical Society for distinction in theoretical or experimental physical chemistry.

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Lasse Jensen

Lasse Jensen is a professor of theoretical chemistry at Pennsylvania State University whose works have appeared in such chemistry journals as the Journal of the American Chemical Society, Journal of Physical Chemistry A, Journal of Chemical Physics and the Chemical Society Reviews among others.

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Leopold von Pebal

Leopold von Pebal (29 December 1826 – 17 February 1887) was an Austrian chemist.

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Leslie Orgel

Leslie Eleazer Orgel FRS (12 January 1927 – 27 October 2007) was a British chemist.

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Leticia González

Leticia González Herrero (born in Madrid) is a theoretical chemist, known for her work on molecular excited states, especially ultrafast dynamics of DNA nucleobases and highly accurate simulations of transition metal complexes.

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Library of Congress Classification:Class Q -- Science

Class Q: Science is a classification used by the Library of Congress Classification system.

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Linus Pauling

Linus Carl Pauling (February 28, 1901 – August 19, 1994) was an American chemist, biochemist, peace activist, author, educator, and husband of American human rights activist Ava Helen Pauling.

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List of academic fields

The following outline is provided as an overview of an topical guide to academic disciplines: An academic discipline or field of study is known as a branch of knowledge.

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List of atheists in science and technology

This is a list of atheists in science and technology.

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List of Belgians

This is a list of notable Belgian people who either.

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List of chemical compounds with unusual names

Chemical nomenclature, replete as it is with compounds with complex names, is a repository for some very peculiar and sometimes startling names.

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List of chemists

This is a list of chemists.

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List of fields of doctoral studies in the United States

This is the list of the fields of doctoral studies in the United States used for the annual Survey of Earned Doctorates, conducted by NORC at the University of Chicago for the National Science Foundation and other federal agencies, as used for the 2015 survey.

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List of Old Bristolians

The following are some of the notable Old Bristolians.

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List of people from Mississippi

This list contains people who were born or lived in the U.S. state of Mississippi.

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List of Shanti Swarup Bhatnagar Prize recipients

Shanti Swarup Bhatnagar Prize for Science and Technology is one of the highest multidisciplinary science awards in India.

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List of Turkish philosophers and scientists

This is a list of notable Turkish philosophers and scholars.

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List of University of Florida alumni

This list of University of Florida alumni includes current students, former students, and graduates of the University of Florida in Gainesville, Florida.

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List of University of Szeged people

The list of University of Szeged people includes notable graduates and nongraduates; professors; and administrators affiliated with the University of Szeged, located in Szeged, Hungary.

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Lorenz S. Cederbaum

Lorenz Cederbaum (born 26 October 1946 in Braunschweig, Germany) is a German physical chemist.

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Lucky Star (manga)

is a Japanese four-panel comic strip manga by Kagami Yoshimizu.

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Mark S Gordon

Mark S. Gordon is a professor of chemistry at Iowa State University, and Ames Laboratory working in the area of computational quantum chemistry.

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Marta Filizola

Marta Filizola is the Dean of The Graduate School of Biomedical Sciences at the Icahn School of Medicine at Mount Sinai in New York City.

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Martin Head-Gordon

Martin Philip Head-Gordon (né Martin Philip Head) is a professor of chemistry at the University of California, Berkeley, and Lawrence Berkeley National Laboratory working in the area of computational quantum chemistry.

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Martin Karplus

Martin Karplus (born March 15, 1930) is an Austrian-born American theoretical chemist.

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Mary Jo Ondrechen

Mary Jo Ondrechen (born 1953) is a chemist, educator, researcher, community leader and activist.

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Max Planck Institute for Coal Research

The Max Planck Institute for Coal Research (Max-Planck-Institut für Kohlenforschung) is an institute located in Mülheim an der Ruhr, Germany specializing in chemical research on catalysis.

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Michael J. S. Dewar

Michael James Steuart Dewar (24 September 1918 – 10 October 1997) was a theoretical chemist.

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Michael P. Barnett

Michael Peter Barnett (24 March 1929 – 13 March 2012) was a British theoretical chemist and computer scientist.

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Michael Zerner

Michael Charles Zerner (January 1, 1940 – February 2, 2000) was an American theoretical chemist, professor at the University of Guelph from 1970 to 1981 and University of Florida from 1981 to 2000.

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Millard H. Alexander

Millard Henry Alexander (born February 17, 1943, Boston, Massachusetts) is a Distinguished University Professor at the University of Maryland, with appointments in the Department of Chemistry and Biochemistry and the Institute for Physical Science and Technology.

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Modelling biological systems

Modelling biological systems is a significant task of systems biology and mathematical biology.

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Molecular engineering

Molecular engineering is an emerging field of study concerned with the design and testing of molecular properties, behavior and interactions in order to assemble better materials, systems, and processes for specific functions.

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Molecular physics

Molecular physics is the study of the physical properties of molecules, the chemical bonds between atoms as well as the molecular dynamics.

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Molecule

A molecule is an electrically neutral group of two or more atoms held together by chemical bonds.

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Mormon Scientist

Mormon Scientist: The Life and Faith of Henry Eyring is a book about Henry Eyring, who from 1930 to 1980 made substantial contributions to theoretical chemistry while also speaking and writing extensively about the compatibility of science and religion.

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Naba Kishore Ray

Naba Kishore Ray (1940-??) was an Indian theoretical and computational chemist, known for his studies on structure of molecules.

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Nancy Makri

Nancy Makri (born September 5, 1962) is the Edward William and Jane Marr Gutgsell Endowed Professor of Chemistry and Physics at the University of Illinois at Urbana–Champaign, where she is the principal investigator of the Makri Research Group for the theoretical understanding of condensed phase quantum dynamics.

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Nicholas C. Handy

Nicholas Charles Handy, FRS (17 June 1941 – 2 October 2012) was a British theoretical chemist.

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Nihat Berker

Ahmet Nihat Berker (born 20 September 1949 in Istanbul), is a Turkish scientist, theoretical chemist, physicist and emeritus professor of physics at MIT.

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Noel Hush

Professor Noel Sydney Hush AO, DSc, FRS, FNAS, FAA, FRACI, FRSN is an Australian chemist at the University of Sydney.

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North Campus (University of Copenhagen)

The North Campus (Nørre Campus) is one of the University of Copenhagen's four campuses in Copenhagen, Denmark.

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Odile Eisenstein

Odile Eisenstein is a theoretical chemist who specializes in modelling the structure and reactivity of transition metals and lanthanide complexes.

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Oganesson

Oganesson is a synthetic chemical element with symbol Og and atomic number 118.

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Oktay Sinanoğlu

Oktay Sinanoğlu (25 February 1935 – 19 April 2015) was an internationally renowned Turkish physical chemist and molecular biophysicist.

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Oleg Prezhdo

Oleg V. Prezhdo (born 1970) is a Ukrainian–American physical chemist whose research focuses on non-adiabatic molecular dynamics and time-dependent density functional theory (TDDFT).

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Organic and Biomolecular Chemistry

Organic & Biomolecular Chemistry is a biweekly peer-reviewed scientific journal covering all aspects of organic chemistry, including organic aspects of chemical biology, medicinal chemistry, natural product chemistry, supramolecular chemistry, macromolecular chemistry, theoretical chemistry, and catalysis.

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Orlin D. Velev

Orlin D. Velev (Орлин Д. Велев) (born November 3, 1963 in Plovdiv, Bulgaria) is the INVISTA Professor in the Department of Chemical and Biomolecular Engineering at North Carolina State University.

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Otto Chr. Bastiansen

Otto Christian Astrup Bastiansen (5 September 1918 – 2 October 1995) was a Norwegian physicist and chemist.

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Outline of academic disciplines

An academic discipline or field of study is a branch of knowledge that is taught and researched as part of higher education.

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Outline of chemistry

The following outline is provided as an overview of and topical guide to chemistry: Chemistry – science of atomic matter (matter that is composed of chemical elements), especially its chemical reactions, but also including its properties, structure, composition, behavior, and changes as they relate the chemical reactions.

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Outline of physical science

Physical science is a branch of natural science that studies non-living systems, in contrast to life science.

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P. T. Narasimhan

Palliakaranai Thirumalai Narasimhan (1928–2013), popularly known as PTN or Jim, was an Indian theoretical chemist, one of the pioneers of computational chemistry in India and a professor at the Indian Institute of Technology, Kanpur.

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Péter Surján

Péter R. Surján (born August 30, 1955) is a Hungarian theoretical chemist who is known for his research on application of the theory of second quantization in quantum chemistry.

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Peter Guy Wolynes

Peter Guy Wolynes is an American theoretical chemist and physicist.

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Peter Pulay

Peter Pulay (Born September 20, 1941 in Veszprém, Hungary) is a theoretical chemist.

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Peter Schuster

Peter K. Schuster (born 7 March 1941) is a theoretical chemist known for his work with the German Nobel Laureate Manfred Eigen in developing the quasispecies model.

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Piotr Piecuch

Piotr Piecuch (born January 21, 1960) is a Polish-born American physical chemist.

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Poul Jørgensen (chemist)

Poul Jørgensen (born 2 March 1944 in Silkeborg, Denmark) is professor of chemistry at the Department of Chemistry, Aarhus University (AU), Denmark and director of the qLEAP Center for Theoretical Chemistry at AU, which was established in April 2012.

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Protein structure prediction

Protein structure prediction is the inference of the three-dimensional structure of a protein from its amino acid sequence—that is, the prediction of its folding and its secondary and tertiary structure from its primary structure.

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Quantum biology

Quantum biology refers to applications of quantum mechanics and theoretical chemistry to biological objects and problems.

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Ralph Raphael

Professor Ralph Alexander Raphael FRS CBE FRSE (1 January 1921 – 27 April 1998) was a British organic chemist, well known for his use of acteylene derivatives in the synthesis of natural products with biological activity.

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Raymond Daudel

Raymond Daudel (February 2, 1920 – June 20, 2006) was a French theoretical and quantum chemist.

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Reinhart Ahlrichs

Reinhart Ahlrichs (16 January 1940 – 12 October 2016) was a German theoretical chemist.

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Richard A. Friesner

Richard A. Friesner is an American theoretical chemist and Professor of Chemistry at Columbia University.

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Richard Stratt

Richard Stratt is an American chemist and physicist, currently the Newport Rogers Professor and also formerly the Harrison S. Kravis Professor from 1999 to 2000, at Brown University, focusing with theoretical chemistry, molecular dynamics in liquids and ultrafast spectroscopy.

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Roald Hoffmann

Roald Hoffmann (born Roald Safran; July 18, 1937) is a Polish-American theoretical chemist who won the 1981 Nobel Prize in Chemistry.

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Robert E. Wyatt

Robert E. Wyatt is a professor of chemistry at University of Texas at Austin, Department Chemistry and Biochemistry.

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Robert J. Harrison

Robert J. Harrison (born June 19, 1960) is a distinguished expert in high-performance computing.

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Robert Parr

Robert Ghormley Parr (September 22, 1921 – March 27, 2017) was an American theoretical chemist who was a Professor of Chemistry at the University of North Carolina at Chapel Hill.

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Rodney J. Bartlett

Rodney J. Bartlett (born March 31, 1944 in Memphis, Tennessee, U.S.) is Graduate Research Professor of Chemistry and Physics, University of Florida, Gainesville, USA.

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Ronnie Kosloff

Ronnie Kosloff (born July 26, 1948 in Los Angeles, California) is a professor of theoretical chemistry at the Institute of Chemistry and Fritz Haber Center for Molecular Dynamics, Hebrew University of Jerusalem, Israel.

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Ross H. McKenzie

Ross H. McKenzie is a Professor in Physics at the University of Queensland.

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Roy McWeeny

Roy McWeeny (born 19 May 1924 in Bradford, Yorkshire, England) is a physicist and academic.

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Russell J. Boyd

Russell Jaye Boyd (born September 11, 1945) is a Canadian computational and theoretical chemist.

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Russell M. Pitzer

Russell Mosher Pitzer (born May 10, 1938) is an American theoretical chemist and educator.

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S. Francis Boys

(Samuel) Francis (Frank) Boys FRS (20 December 1911 – 16 October 1972) was a British theoretical chemist.

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S. M. Blinder

Seymour Michael Blinder (born March 11, 1932 in New York City) is a professor emeritus of chemistry and physics at the University of Michigan, Ann Arbor and a telecommuting senior scientist with Wolfram Research in Champaign, Illinois.

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Sally Price (chemist)

Sarah (Sally) Lois Price (born 1956) is Professor of Physical Chemistry at University College London.

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School of Chemistry, UNAM

The School of Chemistry is one of the 27 academic institutions that are part of the National Autonomous University of Mexico (UNAM).

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Scientist

A scientist is a person engaging in a systematic activity to acquire knowledge that describes and predicts the natural world.

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Shridhar Ramachandra Gadre

Shridhar Ramachandra Gadre (born 20 May 1950) is an Indian scientist working in computational quantum and theoretical chemistry.

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Sigrid D. Peyerimhoff

Sigrid Doris Peyerimhoff (born January 12, 1937, in Rottweil) is a theoretical chemist and Emeritus Professor at the Institute of Physical and Theoretical Chemistry, University of Bonn, Germany.

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Stuart A. Rice

Stuart Alan Rice (born January 6, 1932) is an American theoretical chemist and physical chemist.

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Sullivan Upper School

Sullivan Upper School is a mixed cross-denominational voluntary grammar school in Holywood, Northern Ireland, and has approximately 1,100 enrolled pupils.

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Sven Josef Cyvin

Sven Josef Cyvin (25 February 1931 – 19 September 2013) was a Norwegian chemist.

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Synnøve Liaaen Jensen

Synnøve Liaaen Jensen (born 1 March 1932) is a Norwegian chemist.

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Tetranitrogen

Tetranitrogen is a neutrally charged polynitrogen allotrope of the chemical formula and consists of four nitrogen atoms.

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The central science

Chemistry is often called the central science because of its role in connecting the physical sciences, which include chemistry, with the life sciences and applied sciences such as medicine and engineering.

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The Search for Truth

The Search for Truth is a 41-minute film produced by The Church of Jesus Christ of Latter-day Saints.

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Theoretical Chemistry Accounts

Theoretical Chemistry Accounts: Theory, Computation, and Modeling is a peer-reviewed scientific journal publishing original (primary) research and review articles in theoretical chemistry, quantum chemistry, and computational chemistry.

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Todd Martinez

Todd J. Martínez is a David Mulvane Ehrsam and Edward Curtis Franklin Professor of Chemistry at Stanford University and a Professor of Photon Science at the SLAC National Accelerator Laboratory.

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Tony Orchard

Anthony ("Tony") Frederick Orchard (13 March 1941 – 19 August 2005) was a pioneer of inorganic chemistry.

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Topology (chemistry)

In chemistry, topology provides a convenient way of describing and predicting the molecular structure within the constraints of three-dimensional (3-D) space.

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Ulla Mitzdorf

Ulla Mitzdorf (March 15, 1944 – July 19, 2013) was a German scientist.

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Ulmas Mirsaidovich Mirsaidov

Ulmas Mirsaidovich Mirsaidov (born November 10, 1945) is a Tajik theoretical chemist.

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Vibronic coupling

Vibronic coupling (also called nonadiabatic coupling or derivative coupling) in a molecule involves the interaction between electronic and nuclear vibrational motion.

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Viktor von Lang

Viktor von Lang (2 March 1838 – 3 July 1921) was an Austrian chemist.

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Walter Kohn

Walter Kohn (March 9, 1923 – April 19, 2016) was an Austrian-born American theoretical physicist and theoretical chemist.

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Walter Thiel (chemist)

Walter Thiel (born 7 March 1949 in Treysa, Hesse) is a German theoretical chemist.

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Weitao Yang

Weitao Yang (born in Chaozhou, Guangdong, China, March 31, 1961) is a Philip Handler Professor of Chemistry in Duke University.

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Werner Kutzelnigg

Werner Kutzelnigg, born on September 10, 1933 in Vienna, Austria, is a prominent theoretical chemist.

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Wet chemistry

Wet chemistry is a form of analytical chemistry that uses classical methods such as observation to analyze materials.

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William Hughes Miller

William Hughes Miller (born March 16, 1941, Kosciusko, Mississippi) is a professor at the University of California, Berkeley and a leading researcher in the field of theoretical chemistry.

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William Lipscomb

William Nunn Lipscomb Jr. (December 9, 1919April 14, 2011) was a Nobel Prize-winning American inorganic and organic chemist working in nuclear magnetic resonance, theoretical chemistry, boron chemistry, and biochemistry.

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World Association of Theoretical and Computational Chemists

The World Association of Theoretical and Computational Chemists (WATOC) is a scholarly association founded in 1982 "in order to encourage the development and application of theoretical methods" in chemistry, particularly quantum chemistry and computational chemistry.

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Yuri Berlin

Yuri Alfredovich Berlin (Russian: Юрий Альфредович Берлин, born Moscow, USSR, December 12, 1944) is an American physical chemist of Russian origin.

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1920 in France

Events from the year 1920 in France.

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1925 in science

The year 1925 in science and technology involved some significant events, listed below.

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1930 in science

The year 1930 in science and technology involved some significant events, listed below.

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2-Pyridone

2-Pyridone is an organic compound with the formula.

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2006 in France

Events from the year 2006 in France.

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Theoretical Chemistry, Theoretical chemist.

References

[1] https://en.wikipedia.org/wiki/Theoretical_chemistry

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