화학공학소재연구정보센터
검색결과 : 32건
No. Article
1 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
2 Thermochemical parameters of caffeine, theophylline, and xanthine
Cuong NT, Tai TB, Ha VTT, Nguyen MT
Journal of Chemical Thermodynamics, 42(4), 437, 2010
3 Endohedral encapsulation of lithium in C-70
Veljkovic M, Neskovic O, Ivetic T, Velickovic S, Maksin T
Materials Science Forum, 480, 351, 2005
4 Vertical ionization energies of alpha-L-amino acids as a function of their conformation: an ab initio study
Dehareng D, Dive G
International Journal of Molecular Sciences, 5(11-12), 301, 2004
5 A novel network structure of organometallic clusters in the gas phase
Nakajima A, Kaya K
Journal of Physical Chemistry A, 104(2), 176, 2000
6 Ionization energies and electron mobilities in phosphorus- and nitrogen-implanted 4H-silicon carbide
Capano MA, Cooper JA, Melloch MR, Saxler A, Mitchel WC
Materials Science Forum, 338-3, 703, 2000
7 Density functional study of carbon clusters C-2n (2 <= n <= 16). I. Structure and bonding in the neutral clusters
Jones RO
Journal of Chemical Physics, 110(11), 5189, 1999
8 A systematic application of density functional theory to some carbon-containing molecules and their anions
Brown ST, Rienstra-Kiracofe JC, Schaefer HF
Journal of Physical Chemistry A, 103(20), 4065, 1999
9 Vibrational and electronic second hyperpolarizabilities of all-trans polysilane chains
Perpete EA, Andre JM, Champagne B
Journal of Chemical Physics, 109(11), 4624, 1998
10 Orbital and shakeup operator renormalizations in electron propagator theory
Ortiz JV
Journal of Chemical Physics, 109(14), 5741, 1998