共 50 条
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- [3] Computation of ionization potential of conjugated radicals by hybrid density functional theory methodsJOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1996, (04): : 697 - 700Jursic, BS
- [4] Computing electron affinities of radicals with density functional theory methods.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 228 - COMPJursic, BS
- [5] Density Functional Theory Orbital Energies for Predicting Ionization EnergiesINTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009), 2012, 1504 : 1257 - 1260Salzner, UlrikeBaer, Roi
- [6] Calculation of ionization energies, electron affinities, electronegativities, and hardnesses using density functional methodsJOURNAL OF CHEMICAL PHYSICS, 1997, 106 (08): : 3270 - 3279DeProft, FGeerlings, P
- [7] Computation of bond dissociation energies of methyl substituted radicals with density functional theory methodsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 120 - COMPJursic, BSTimberlake, JWEngel, PS
- [10] Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizabilityJOURNAL OF CHEMICAL PHYSICS, 2008, 129 (04):Suponitsky, Kyrill Yu.Tafur, SergioMasunov, Artem E.