QM:QM embedding using electronic densities within an ONIOM framework: energies and analytic gradients.
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MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-QuadruplexMultilevel X-Pol: a fragment-based method with mixed quantum mechanical representations of different fragments.Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs.
P2860
QM:QM embedding using electronic densities within an ONIOM framework: energies and analytic gradients.
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2011 nî lūn-bûn
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2011年の論文
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2011年学术文章
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2011年学术文章
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QM:QM embedding using electron ...... ergies and analytic gradients.
@en
QM:QM embedding using electron ...... ergies and analytic gradients.
@nl
type
label
QM:QM embedding using electron ...... ergies and analytic gradients.
@en
QM:QM embedding using electron ...... ergies and analytic gradients.
@nl
prefLabel
QM:QM embedding using electron ...... ergies and analytic gradients.
@en
QM:QM embedding using electron ...... ergies and analytic gradients.
@nl
P2093
P2860
P356
P1476
QM:QM embedding using electron ...... ergies and analytic gradients.
@en
P2093
Aliaksandr V Krukau
Hrant P Hratchian
Krishnan Raghavachari
Michael J Frisch
Priya V Parandekar
P2860
P304
P356
10.1063/1.3603450
P407
P577
2011-07-01T00:00:00Z