화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Specific features of the extra strong intermolecular hydrogen bonds in crystals: Insights from the theoretical charge density analysis
Vener MV, Levina EO, Astakhov AA, Tsirelson VG
Chemical Physics Letters, 638, 233, 2015
2 The N ... I halogen bond in substituted pyridines as viewed by the source function and delocalization indices
Bartashevich EV, Troitskaya EA, Tsirelson VG
Chemical Physics Letters, 601, 144, 2014
3 Hydrogen bonds and O center dot center dot center dot O interactions in proton-ordered ices. DFT computations with periodic boundary conditions
Vener MV, Egorova AN, Tsirelson VG
Chemical Physics Letters, 500(4-6), 272, 2010
4 Binding Entropy and Its Application to Solids
Tsirelson VG, Nagy A
Journal of Physical Chemistry A, 113(31), 9022, 2009
5 Proton Dynamics in Strong (Short) Intramolecular H-Bond. DFT Study of the KH Maleate Crystal
Vener MV, Manaev AV, Tsirelson VG
Journal of Physical Chemistry A, 112(51), 13628, 2008
6 QTAIM study of the closed-shell interactions in peptide secondary structures: A cluster treatment of oligo- and polyalanines
Vener MV, Egorova AN, Fomin DP, Tsirelson VG
Chemical Physics Letters, 440(4-6), 279, 2007
7 QTAIM study of strong H-bonds with the O-H center dot center dot center dot A fragment (A = O, N) in three-dimensional periodical crystals
Vener MV, Manaev AV, Egorova AN, Tsirelson VG
Journal of Physical Chemistry A, 111(6), 1155, 2007
8 Atoms-in-molecules study of intra- and intermolecular bonding in the pentaerythritol tetranitrate crystal
Zhurova EA, Stash AI, Tsirelson VG, Zhurov VV, Bartashevich EV, Potemkin VA, Pinkerton AA
Journal of the American Chemical Society, 128(45), 14728, 2006
9 Electronic energy distributions in energetic materials: NTO and the biguanidinium dinitramides
Zhurova EA, Tsirelson VG, Stash AI, Yakovlev MV, Pinkerton AA
Journal of Physical Chemistry B, 108(52), 20173, 2004
10 Characterizing the oxygen-oxygen interaction in the dinitramide anion
Zhurova EA, Tsirelson VG, Stash AI, Pinkerton AA
Journal of the American Chemical Society, 124(17), 4574, 2002