Car-Parrinello molecular dynamics study of a blue-shifted intermolecular weak-hydrogen-bond system

Author(s):
Rodziewicz, P.; Melikova, S.M.; Rutkowski, K.S.; Buda, F. (0000-0002-7157-7654)
Published
2005
Publication type
Article / Letter to editor
Ab Initio CalculationsAutocorrelation FunctionsDensity Functional CalculationsHydrogen BondsMolecular Dynamics
Date issued
2005-09-05
Language
English
Is part of
ChemPhysChem (2005), Vol. 6, no. 9, p. 1719-1724
hdl
1887/3480070
doi
10.1002/cphc.200400577