Systematic fragmentation of large molecules by annihilation.
about
Molecular energies from an incremental fragmentation method.On the Stability of Cyclophane Derivates Using a Molecular Fragmentation Method.Molecular electrostatic potentials by systematic molecular fragmentation.Multiple time step integrators in ab initio molecular dynamics.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.Intramolecular interactions in sterically crowded hydrocarbon molecules.New accurate benchmark energies for large water clusters: DFT is better than expected.Calculating nuclear magnetic resonance shieldings using systematic molecular fragmentation by annihilation.Three-body expansion of the fragment molecular orbital method combined with density-functional tight-binding.Analytic second derivatives of the energy in the fragment molecular orbital method.Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins.Comparing the accuracy of high-dimensional neural network potentials and the systematic molecular fragmentation method: A benchmark study for all-trans alkanes.
P2860
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P2860
Systematic fragmentation of large molecules by annihilation.
description
2012 nî lūn-bûn
@nan
2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
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2012年學術文章
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name
Systematic fragmentation of large molecules by annihilation.
@en
Systematic fragmentation of large molecules by annihilation.
@nl
type
label
Systematic fragmentation of large molecules by annihilation.
@en
Systematic fragmentation of large molecules by annihilation.
@nl
prefLabel
Systematic fragmentation of large molecules by annihilation.
@en
Systematic fragmentation of large molecules by annihilation.
@nl
P2860
P356
P1476
Systematic fragmentation of large molecules by annihilation.
@en
P2093
Michael A Collins
P2860
P304
P356
10.1039/C2CP23832B
P407
P577
2012-02-29T00:00:00Z