共 50 条
- [22] Electrostatic calculations and multiple time scales in molecular dynamics simulation of flexible molecular systems JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (21): : 8799 - 8803
- [25] MOLECULAR-STRUCTURE OF ALLENES AND KETENES .4. APPROXIMATIONS FOR SEMIEMPIRICAL CALCULATIONS OF C-13-CHEMICAL SHIFTS OF ALLENES BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1975, 79 (10): : 907 - 912
- [26] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .4. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (03): : 956 - 960
- [29] Atomic Charges Derived from Electrostatic Potentials for Molecular and Periodic Systems JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (37): : 10225 - 10233
- [30] MOLECULAR ELECTROSTATIC POTENTIALS OF HYDROGEN-BONDED SYSTEMS - THE OLIGOMERS OF FORMAMIDE THEORETICA CHIMICA ACTA, 1980, 57 (01): : 63 - 70