화학공학소재연구정보센터
검색결과 : 69건
No. Article
1 Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method
Manaa MR
Chemical Physics Letters, 678, 102, 2017
2 Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory
Ong SP, Ceder G
Electrochimica Acta, 55(11), 3804, 2010
3 A CCSDT study of the effects of higher order correlation on spectroscopic constants. I. First row diatomic hydrides
Feller D, Sordo JA
Journal of Chemical Physics, 112(13), 5604, 2000
4 A complete basis set model chemistry. VII. Use of the minimum population localization method
Montgomery JA, Frisch MJ, Ochterski JW, Petersson GA
Journal of Chemical Physics, 112(15), 6532, 2000
5 A dipole-bound dianion
Skurski P, Simons J
Journal of Chemical Physics, 112(15), 6563, 2000
6 Infrared spectra of the CS2-, CS2+, and C2S4+ molecular ions in solid neon and argon
Zhou MF, Andrews L
Journal of Chemical Physics, 112(15), 6576, 2000
7 Ring expansion in methylene pyrrole radicals. Quantum chemical calculations
Dubnikova F, Lifshitz A
Journal of Physical Chemistry A, 104(3), 530, 2000
8 Potential energy surface of SCl3-
Gailbreath BD, Pommerening CA, Bachrach SM, Sunderlin LS
Journal of Physical Chemistry A, 104(13), 2958, 2000
9 Adsorption of DNA bases onto a semiconductor surface: Evidence for surface-mediated promotion and detection of complementary base pair formation
Meeker K, Ellis AB
Journal of Physical Chemistry B, 104(11), 2500, 2000
10 Thermodynamical stability of CH3ONO and CH3ONO-: A coupled-cluster and Hartree-Fock-density-functional-theory study
Gutsev GL, Jena P, Bartlett RJ
Journal of Chemical Physics, 110(1), 403, 1999