화학공학소재연구정보센터
검색결과 : 37건
No. Article
1 NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules
Corzo HH, Galano A, Dolgounitcheva O, Zakrzewski VG, Ortiz JV
Journal of Physical Chemistry A, 119(33), 8813, 2015
2 Valence-Bound and Diffuse-Bound Anions of 5-Azauracil
Corzo HH, Dolgounitcheva O, Zakrzewski VG, Ortiz JV
Journal of Physical Chemistry A, 118(34), 6908, 2014
3 Electron Propagator Calculations on the Ground and Excited States of C-60(-)
Zakrzewski VG, Dolgounitcheva O, Ortiz JV
Journal of Physical Chemistry A, 118(35), 7424, 2014
4 Photoelectron Spectroscopy of the 6-Azauracil Anion
Chen J, Buonaugurio A, Dolgounitcheva O, Zakrzewski VG, Bowen KH, Ortiz JV
Journal of Physical Chemistry A, 117(6), 1079, 2013
5 Vertical Ionization Energies of Adenine and 9-Methyl Adenine
Dolgounitcheva O, Zakrzewski VG, Ortiz JV
Journal of Physical Chemistry A, 113(52), 14630, 2009
6 Nonconventional Hydrogen Bonds: A Theoretical Study of [uracil-L](-) (L = F, Cl, Br, I, Al, Ga, In) Complexes
Martinez A, Dolgounitcheva O, Zakrzewski VG, Ortiz JV
Journal of Physical Chemistry A, 112(41), 10399, 2008
7 Base and phosphate electron detachment energies of deoxyribonucleotide anions
Zakjevskii VV, King SJ, Dolgounitcheva O, Zakrzewski VG, Ortiz JV
Journal of the American Chemical Society, 128(41), 13350, 2006
8 Ab initio electron propagator calculations on the ionization energies of free base porphine, magnesium porphyrin, and zinc porphyrin
Dolgounitcheva O, Zakrzewski VG, Ortiz JV
Journal of Physical Chemistry A, 109(50), 11596, 2005
9 Silicon-nitrogen bonding in silatranes: Assignment of photoelectron spectra
Trofimov AB, Zakrzewski VG, Dolgounitcheva O, Ortiz JV, Sidorkin VF, Belogolova EF, Belogolov M, Pestunovich VA
Journal of the American Chemical Society, 127(3), 986, 2005
10 Electron propagator calculations show that alkyl substituents alter porphyrin ionization energies
Dolgounitcheva O, Zakrzewski VG, Ortiz JV
Journal of the American Chemical Society, 127(23), 8240, 2005