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Molecular Physics

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568.1K

Citations

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Molecular Physics is a journal.

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Molecular Physics

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20.3K

Publications

568.1K

Citations

Showing yearly statistics from 2000-2026.

YearCitations

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi

Molecular Physics

1970

21.7K

A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé

Molecular Physics

1984

9.9K

Self-consistent perturbation theory of diamagnetism

R. Ditchfield

Molecular Physics

1974

4.4K

Constant pressure molecular dynamics for molecular systems

Shūichi Nosé, Michael L. Klein

Molecular Physics

1983

3.3K

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky,

Molecular Physics

2014

3.1K

<i>Ab initio</i> energy-adjusted pseudopotentials for elements of groups 13–17

Andreas Bergner, Michael Dolg, W. Küchle,

Molecular Physics

1993

2.8K

The energy gap law for radiationless transitions in large molecules

R. Englman, Joshua Jortner

Molecular Physics

1970

2.7K

<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules

Péter Pulay

Molecular Physics

1969

2.4K

Accuracy of AH<sub><i>n</i></sub>equilibrium geometries by single determinant molecular orbital theory

P. C. Hariharan, John A. Pople

Molecular Physics

1974

2.2K

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

Narbe Mardirossian, Martin Head‐Gordon

Molecular Physics

2017

2.2K

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