화학공학소재연구정보센터
검색결과 : 55건
No. Article
1 Quantum theory of atoms in molecules for photovoltaics
Potemkin V, Palko N, Grishina M
Solar Energy, 190, 475, 2019
2 Difluorodiazirine (CF2N2): A comparative quantum mechanical study of the first triplet and first singlet excited states
Terrabuio LA, Haiduke RLA, Matta CF
Chemical Physics Letters, 655, 96, 2016
3 Sulfonated or phosphonated membranes? DFT investigation of proton exchange in poly(oxadiazole) membranes
Abdolmaleki A, Eskandari K, Molavian MR
Polymer, 87, 181, 2016
4 The effect of electron scattering from disordered grain boundaries on the resistivity of metallic nanostructures
Arenas C, Henriquez R, Moraga L, Munoz E, Munoz RC
Applied Surface Science, 329, 184, 2015
5 Improving the hydrogen storage capacity of metal organic framework by chemical functionalization
Kumar RM, Sundar JV, Subramanian V
International Journal of Hydrogen Energy, 37(21), 16070, 2012
6 Selective atomic hydrogen heating in plasmas: Implications for quantum theory
Phillips J
International Journal of Hydrogen Energy, 34(24), 9816, 2009
7 Four-electron reduction of O-2 over multiple Cu-I centers: Quantum theory
Vayner E, Schweiger H, Anderson AB
Journal of Electroanalytical Chemistry, 607(1-2), 90, 2007
8 Current status of ab initio quantum chemistry study for oxygen electroreduction on fuel cell catalysts
Shi Z, Zhang JJ, Liu ZS, Wang HJ, Wilkinson DP
Electrochimica Acta, 51(10), 1905, 2006
9 Hydrogen oxidation and proton transport at the Ni-zirconia interface in solid oxide fuel cell anodes: Quantum chemical predictions
Anderson AB, Vayner E
Solid State Ionics, 177(15-16), 1355, 2006
10 Nonlinear optimal control as quantum mechanical eigenvalue problems
Itami T
Automatica, 41(9), 1617, 2005