화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Implicit solvent simulations of DNA and DNA-protein complexes: Agreement with explicit solvent vs experiment
Chocholousova J, Feig M
Journal of Physical Chemistry B, 110(34), 17240, 2006
2 Polar isomer of formic acid dimers formed in helium nanodroplets
Madeja F, Havenith M, Nauta K, Miller RE, Chocholousova J, Hobza P
Journal of Chemical Physics, 120(22), 10554, 2004
3 Acetic acid dimer in the gas phase, nonpolar solvent, microhydrated environment, and dilute and concentrated acetic acid: Ab initio quantum chemical and molecular dynamics simulations
Chocholousova J, Vacek J, Hobza P
Journal of Physical Chemistry A, 107(17), 3086, 2003
4 Stacked structure of the glycine dimer is more stable than the cyclic planar geometry with two O-H center dot center dot center dot O hydrogen bonds: Concerted action of empirical, high-level nonempirical ab initio, and experimental studies
Chocholousova J, Vacek J, Huisken F, Werhahn O, Hobza P
Journal of Physical Chemistry A, 106(47), 11540, 2002
5 Anharmonic treatment of the lowest-energy conformers of glycine: A theoretical study
Bludsky O, Chocholousova J, Vacek J, Huisken F, Hobza P
Journal of Chemical Physics, 113(11), 4629, 2000