A density-based adaptive quantum mechanical/molecular mechanical method.
about
Enhanced semiempirical QM methods for biomolecular interactions.Quantum Mechanics Approach to Hydration Energies and Structures of Alanine and Dialanine.Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics method.Yoink: An interaction-based partitioning API.Developing adaptive QM/MM computer simulations for electrochemistry.Adaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning Schemes
P2860
A density-based adaptive quantum mechanical/molecular mechanical method.
description
2014 nî lūn-bûn
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2014年の論文
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name
A density-based adaptive quantum mechanical/molecular mechanical method.
@en
A density-based adaptive quantum mechanical/molecular mechanical method.
@nl
type
label
A density-based adaptive quantum mechanical/molecular mechanical method.
@en
A density-based adaptive quantum mechanical/molecular mechanical method.
@nl
prefLabel
A density-based adaptive quantum mechanical/molecular mechanical method.
@en
A density-based adaptive quantum mechanical/molecular mechanical method.
@nl
P2093
P2860
P356
P1433
P1476
A density-based adaptive quantum mechanical/molecular mechanical method.
@en
P2093
Mark P Waller
Sadhana Kumbhar
P2860
P304
P356
10.1002/CPHC.201402105
P577
2014-06-20T00:00:00Z