Far-infrared absorption of water clusters by first-principles molecular dynamics
about
Water clusters adsorbed on polycyclic aromatic hydrocarbons: energetics and conformational dynamics.An adaptive quantum mechanics/molecular mechanics method for the infrared spectrum of water: incorporation of the quantum effect between solute and solvent.Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics method.Structure, spectroscopy, and dynamics of the phenol-(water)2 cluster at low and high temperatures.Structure and vibrational spectra of small water clusters from first principles simulations.The Water Vapour Continuum: Brief History and Recent DevelopmentsWater vapor self-continuum absorption in near-infrared windows derived from laboratory measurements
P2860
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P2860
Far-infrared absorption of water clusters by first-principles molecular dynamics
description
article
@en
im Juni 2008 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в червні 2008
@uk
name
Far-infrared absorption of water clusters by first-principles molecular dynamics
@en
Far-infrared absorption of water clusters by first-principles molecular dynamics
@nl
type
label
Far-infrared absorption of water clusters by first-principles molecular dynamics
@en
Far-infrared absorption of water clusters by first-principles molecular dynamics
@nl
prefLabel
Far-infrared absorption of water clusters by first-principles molecular dynamics
@en
Far-infrared absorption of water clusters by first-principles molecular dynamics
@nl
P2860
P356
P1476
Far-infrared absorption of water clusters by first-principles molecular dynamics
@en
P2093
D G Kanhere
S Scandolo
P2860
P304
P356
10.1063/1.2933248
P407
P577
2008-06-01T00:00:00Z