화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 IPPP-CLOPPA Analysis of the Influence of the Methylation on the Potential Energy and the Molecular Polarizability of the Hydrogen Bonds in the Cytosine-Guanine Base Pair
Giribet CG, de Azua MCR
Journal of Physical Chemistry A, 121(15), 2960, 2017
2 CLOPPA Analysis of the Molecular Polarizability and the Energy of Strong Intramolecular Hydrogen Bonds: Resonance Assisted?
Giribet CG, de Azua MCR
Journal of Physical Chemistry A, 116(49), 12175, 2012
3 CLOPPA-IPPP Analysis of Cooperative Effects in H-Bonded Molecular Complexes. 2. Application to the Static Molecular Polarizability Tensor
Giribet CG, de Azua MCR
Journal of Physical Chemistry A, 114(2), 1109, 2010
4 CLOPPA-IPPP analysis of cooperative effects in hydrogen-bonded molecular complexes. Application to intermolecular (2h)J(N,C) spin-spin coupling constants in linear (CNH)(n) complexes
Giribet CG, de Azua MCR
Journal of Physical Chemistry A, 112(18), 4386, 2008
5 The sign and magnitude of (2h)J(F,F) and (1h)J(F,H) in FH center dot center dot center dot FH. A CLOPPA analysis of their distance dependence
Giribet CG, de Azua MCR
Journal of Physical Chemistry A, 110(40), 11575, 2006
6 CLOPPA-IPPP analysis of electronic mechanisms of intermolecular (1h)J(A,H) and (2h)J(A,D) spin-spin coupling constants in systems wiith D-H center dot center dot center dot A hydrogen bonds
Giribet CG, de Azua MCR
Journal of Physical Chemistry A, 109(51), 11980, 2005
7 Relativistic effects on nuclear magnetic shielding constants in HX and CH3X (X=Br,I) based on the linear response within the elimination of small component approach
Melo JI, de Azua MCR, Giribet CG, Aucar GA, Provasi PF
Journal of Chemical Physics, 121(14), 6798, 2004
8 Electronic mechanisms of intra and intermolecular J couplings in systems with C-H...O interactions
Giribet CG, de Azua MCR, Vizioli CV, Cavasotto CN
International Journal of Molecular Sciences, 4(4), 203, 2003
9 Relativistic effects on the nuclear magnetic shielding tensor
Melo JI, de Azua MCR, Giribet CG, Aucar GA, Romero RH
Journal of Chemical Physics, 118(2), 471, 2003
10 Proximity Effects on Nuclear Spin-Spin Coupling-Constants .1. (1)J(CH) Couplings in the Vicinity of an Atom Bearing Lone Pairs
Vizioli C, Deazua MC, Giribet CG, Contreras RH, Turi L, Dannenberg JJ, Rae ID, Weigold JA, Malagoli M, Zanasi R, Lazzeretti P
Journal of Physical Chemistry, 98(36), 8858, 1994