His primary scientific interests are in Computational chemistry, Atomic physics, Ab initio, Ab initio quantum chemistry methods and Molecular physics. His Computational chemistry research is multidisciplinary, incorporating elements of Fragment, Binding energy, Gaussian orbital, Ion and Isomerization. His studies deal with areas such as GAMESS, Molecule, Potential method, Charge and Density functional theory as well as Atomic physics.
The study incorporates disciplines such as Inorganic chemistry, Electronic structure, Potential energy and Standard enthalpy of formation in addition to Ab initio. His Ab initio quantum chemistry methods research integrates issues from Electrostatics, Physical chemistry, Electronic correlation and Chemical reaction kinetics. His Molecular physics study integrates concerns from other disciplines, such as Polyatomic ion, Basis set and Perturbation theory.
Mark S. Gordon spends much of his time researching Computational chemistry, Ab initio, Atomic physics, Molecule and Electronic structure. His study on Computational chemistry also encompasses disciplines like
He works mostly in the field of Atomic physics, limiting it down to topics relating to Coupled cluster and, in certain cases, Perturbation theory. His studies link Chemical physics with Molecule. His research investigates the connection with Excited state and areas like Photochemistry which intersect with concerns in Isomerization.
His primary areas of investigation include Atomic physics, Computational chemistry, Density functional theory, Fragment molecular orbital and Ab initio. Mark S. Gordon has included themes like Molecular physics, Basis set, Coupled cluster and Molecular dynamics in his Atomic physics study. In his research on the topic of Computational chemistry, Atomic orbital is strongly related with Molecular orbital.
He interconnects GAMESS, Fragment and Ab initio quantum chemistry methods in the investigation of issues within Fragment molecular orbital. His GAMESS research incorporates elements of Efficient energy use, Computational science and Parallel computing. His Ab initio study combines topics from a wide range of disciplines, such as Chemical physics, Electronic structure and Molecule.
The scientist’s investigation covers issues in Atomic physics, Computational chemistry, Fragment molecular orbital, Density functional theory and Molecular physics. He specializes in Atomic physics, namely Excited state. His research integrates issues of Cellulose, Interaction energy, Isomerization, Hydrogen bond and Binding energy in his study of Computational chemistry.
His research in Fragment molecular orbital intersects with topics in GAMESS, Ab initio, Chemical physics, Work and Molecular systems. The Ab initio study combines topics in areas such as Fragment, Charge and Molecular orbital. His Molecular physics study incorporates themes from Basis set, Conical intersection, Photoisomerization and Computation.
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General atomic and molecular electronic structure system
Michael W. Schmidt;Kim K. Baldridge;Jerry A. Boatz;Steven T. Elbert.
Journal of Computational Chemistry (1993)
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
Michelle M. Francl;William J. Pietro;Warren J. Hehre;J. Stephen Binkley.
Journal of Chemical Physics (1982)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert.
Molecular Physics (2015)
The isomers of silacyclopropane
Mark S. Gordon.
Chemical Physics Letters (1980)
Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements
Mark S. Gordon;J. Stephen Binkley;John A. Pople;William J. Pietro.
Journal of the American Chemical Society (1980)
Chapter 41 – Advances in electronic structure theory: GAMESS a decade later
Mark S. Gordon;Michael W. Schmidt.
Theory and Applications of Computational Chemistry#R##N#The First Forty Years (2005)
MacMolPlt: a graphical user interface for GAMESS.
Brett M. Bode;Mark S. Gordon.
Journal of Molecular Graphics & Modelling (1998)
Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments.
J. A. Pople;Mark S. Gordon.
Journal of the American Chemical Society (1967)
Fragmentation methods: a route to accurate calculations on large systems.
Mark S. Gordon;Dmitri G. Fedorov;Spencer R. Pruitt;Lyudmila V. Slipchenko.
Chemical Reviews (2012)
The construction and interpretation of MCSCF wavefunctions.
Michael W. Schmidt;Mark S. Gordon.
Annual Review of Physical Chemistry (1998)
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