화학공학소재연구정보센터
검색결과 : 36건
No. Article
1 'Relativistic bond' in complexes of Cu, Ag, and Au elements with phosphine
Granatier J, Urban M, Sadlej AJ
Chemical Physics Letters, 484(4-6), 154, 2010
2 The quadrupole moment of the As nucleus from molecular microwave data and calculated relativistic electric field gradients
Demovic L, Kello V, Sadlej AJ
Chemical Physics Letters, 498(1-3), 10, 2010
3 Influence of the external pressure on improper character of intramolecular C-H center dot center dot center dot O interactions
Jablonski M, Sadlej AJ
Chemical Physics Letters, 463(4-6), 322, 2008
4 Blue-shifting intramolecular C-H center dot center dot center dot O interactions
Jablonski M, Sadlej AJ
Journal of Physical Chemistry A, 111(17), 3423, 2007
5 Van der Waals complexes of Cu, Ag, and Au with hydrogen sulfide. The bonding character
Granatier J, Urban M, Sadlej AJ
Journal of Physical Chemistry A, 111(50), 13238, 2007
6 Estimates of the energy of intramolecular hydrogen bonds
Jablonski M, Kaczmarek A, Sadlej AJ
Journal of Physical Chemistry A, 110(37), 10890, 2006
7 Thermodynamics and kinetics of intramolecular proton transfer in guanine. Post Hartree-Fock study
Gorb L, Kaczmarek A, Gorb A, Sadlej AJ, Leszczynski J
Journal of Physical Chemistry B, 109(28), 13770, 2005
8 Explicit time-dependence of basis functions and its consequences
Baranowska A, Sadlej AJ
Chemical Physics Letters, 398(1-3), 270, 2004
9 Monomer basis-set truncation effects in calculations of interaction energies: A model study
Kaczmarek A, Sadlej AJ, Leszczynski J
Journal of Chemical Physics, 120(17), 7837, 2004
10 Electric field gradients from shifted-nucleus calculations: An alternative to the point charge nuclear quadrupole moment model
Kello V, Sadlej AJ
Journal of Chemical Physics, 120(19), 9424, 2004