화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method
Adamson PE, Duan XFF, Burggraf LW, Pak MV, Swalina C, Hainmes-Schiffer S
Journal of Physical Chemistry A, 112(6), 1346, 2008
2 Solvation and Solvatochromism in CO2-Expanded Liquids. 3. The Dynamics of Nonspecific Preferential Solvation
Swalina C, Arzhantsev S, Li HP, Maroncelli M
Journal of Physical Chemistry B, 112(47), 14959, 2008
3 Analysis of nuclear quantum effects on hydrogen bonding
Swalina C, Wang Q, Chakraborty A, Hammes-Schiffer S
Journal of Physical Chemistry A, 111(11), 2206, 2007
4 Anharmonic effects in ammonium nitrate and hydroxylammonium nitrate clusters
Kumarasiri M, Swalina C, Hammes-Schiffer S
Journal of Physical Chemistry B, 111(18), 4653, 2007
5 Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework
Swalina C, Pak MV, Chakraborty A, Hammes-Schiffer S
Journal of Physical Chemistry A, 110(33), 9983, 2006
6 Alternative formulation of many-body perturbation theory for electron-proton correlation
Swalina C, Pak MV, Hammes-Schiffer S
Chemical Physics Letters, 404(4-6), 394, 2005
7 Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer
Swalina C, Hammes-Schiffer S
Journal of Physical Chemistry A, 109(45), 10410, 2005