Ab initio calculations of anharmonic vibrational spectroscopy for hydrogen fluoride (HF)n (n = 3, 4) and mixed hydrogen fluoride/water (HF)n(H2O)n (n = 1, 2, 4) clusters.
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Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications.Efficient calculation of potential energy surfaces for the generation of vibrational wave functions.Automatic generation of potential energy and property surfaces of polyatomic molecules in normal coordinates.Configuration selection as a route towards efficient vibrational configuration interaction calculations.Concerted transfer of multiple protons in acid-water clusters: [(HCl)(H2O)]2 and [(HF)(H2O)]4.Structure and vibrational spectra of H(+)(HF)(n) (n=2-9) clusters: An ab initio study.Anharmonic force fields and thermodynamic functions using density functional theoryTheoretical study of infrared and Raman spectra of hydrated magnesium sulfate salts
P2860
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P2860
Ab initio calculations of anharmonic vibrational spectroscopy for hydrogen fluoride (HF)n (n = 3, 4) and mixed hydrogen fluoride/water (HF)n(H2O)n (n = 1, 2, 4) clusters.
description
2002 nî lūn-bûn
@nan
2002年の論文
@ja
2002年論文
@yue
2002年論文
@zh-hant
2002年論文
@zh-hk
2002年論文
@zh-mo
2002年論文
@zh-tw
2002年论文
@wuu
2002年论文
@zh
2002年论文
@zh-cn
name
Ab initio calculations of anha ...... (H2O)n (n = 1, 2, 4) clusters.
@en
type
label
Ab initio calculations of anha ...... (H2O)n (n = 1, 2, 4) clusters.
@en
prefLabel
Ab initio calculations of anha ...... (H2O)n (n = 1, 2, 4) clusters.
@en
P1476
Ab initio calculations of anha ...... (H2O)n (n = 1, 2, 4) clusters.
@en
P2093
Galina M Chaban
R Benny Gerber
P304
P356
10.1016/S1386-1425(01)00676-X
P407
P577
2002-03-01T00:00:00Z