共 50 条
- [21] CHARGE-DISTRIBUTIONS AND CHEMICAL EFFECTS .25. ON THE HOMOGENEITY OF TOTAL MOLECULAR-ENERGIES AND THE RELATIONSHIPS BETWEEN ELECTRONIC, ORBITAL, AND TOTAL ENERGIES CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1981, 59 (07): : 1074 - 1082
- [23] GAUSSIAN-2 THEORY FOR MOLECULAR-ENERGIES OF 1ST-ROW AND 2ND-ROW COMPOUNDS JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (11): : 7221 - 7230
- [25] CrystaLattE: Automated computation of benchmark-level lattice energies of molecular crystals ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256
- [27] Theory and computation of electron transfer reorganization energies with continuum and molecular solvent models Theoretical Chemistry Accounts, 2004, 111 : 110 - 121
- [28] Estimation, computation, and experimental correction of molecular zero-point vibrational energies JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (30): : 6779 - 6789
- [29] Perturbative computation of ionization energies ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254