The role of the exchange in the embedding electrostatic potential for the fragment molecular orbital method.
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Exploring chemistry with the fragment molecular orbital method.Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.Response to "Comment on 'Solvatochromic shifts of polar and non-polar molecules in ambient and supercritical water: a sequential quantum mechanics/molecular mechanics study including solute-solvent electron exchange-correlation"' [J. Chem. Phys. 138The generalized energy-based fragmentation approach with an improved fragmentation scheme: benchmark results and illustrative applications.Many-body expansion of the Fock matrix in the fragment molecular orbital method.Group molecular orbital approach to solve the Huzinaga subsystem self-consistent-field equations.
P2860
The role of the exchange in the embedding electrostatic potential for the fragment molecular orbital method.
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2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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name
The role of the exchange in th ...... ment molecular orbital method.
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The role of the exchange in th ...... ment molecular orbital method.
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type
label
The role of the exchange in th ...... ment molecular orbital method.
@en
The role of the exchange in th ...... ment molecular orbital method.
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The role of the exchange in th ...... ment molecular orbital method.
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The role of the exchange in th ...... ment molecular orbital method.
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P2860
P356
P1476
The role of the exchange in th ...... ment molecular orbital method.
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P2093
Dmitri G Fedorov
Kazuo Kitaura
P2860
P304
P356
10.1063/1.3250349
P407
P577
2009-11-01T00:00:00Z