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Publications by Mark S. Gordon

A Study of the Reactions of Molecular Hydrogen With Small Gold Clusters

Journal of Chemical Physics

Theoretical Chemistry

English

Analytic Energy Gradients for Multiconfigurational Self-Consistent Field Second-Order Quasidegenerate Perturbation Theory (MC-QDPT)

Journal of Chemical Physics

Theoretical Chemistry

English

The Effective Fragment Model for Solvation: Internal Rotation in Formamide

Journal of Chemical Physics

Theoretical Chemistry

English

A Combined Effective Fragment Potential–fragment Molecular Orbital Method. I. The Energy Expression and Initial Applications

Journal of Chemical Physics

Theoretical Chemistry

English

Charge Transfer Interaction in the Effective Fragment Potential Method

Journal of Chemical Physics

Theoretical Chemistry

English

Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation

Journal of Computational Chemistry

Computational Mathematics

English

Potential Energy Surfaces for the Reactions Si + O2

Journal of Physical Chemistry A

Theoretical Chemistry

English

An Ab Initio Study of Potential Energy Surfaces for N8Isomers

Journal of Physical Chemistry A

Theoretical Chemistry

English

An Interpretation of the Enhancement of the Water Dipole Moment Due to the Presence of Other Water Molecules

Journal of Physical Chemistry A

Theoretical Chemistry

English

Solvent Effects on the SN2 Reaction: Application of the Density Functional Theory-Based Effective Fragment Potential Method

Journal of Physical Chemistry A

Theoretical Chemistry

English