Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations
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Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations
description
im Juni 2012 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
@nl
наукова стаття, опублікована в червні 2012
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name
Molecular dynamics simulation ...... quantum chemical calculations
@en
Molecular dynamics simulation ...... quantum chemical calculations
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type
label
Molecular dynamics simulation ...... quantum chemical calculations
@en
Molecular dynamics simulation ...... quantum chemical calculations
@nl
prefLabel
Molecular dynamics simulation ...... quantum chemical calculations
@en
Molecular dynamics simulation ...... quantum chemical calculations
@nl
P2860
P356
P1476
Molecular dynamics simulation ...... quantum chemical calculations
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P2093
Seiichiro Ten-no
Seiji Ueno
P2860
P304
P356
10.1002/QUA.24179
P577
2012-06-05T00:00:00Z