共 50 条
- [21] Wavelets for electronic structure calculations Journal of Mathematical Chemistry, 1997, 22 : 117 - 142
- [24] Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection Journal of Computer-Aided Molecular Design, 2017, 31 : 183 - 199
- [26] Spacetime structure and unification of fundamental interactions ACTA PHYSICA POLONICA B, 1999, 30 (11): : 3477 - 3484
- [28] Solvent Effects on Chemical Exchange in a Push-Pull Ethylene as Studied by NMR and Electronic Structure Calculations JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 115 (26): : 7531 - 7537
- [29] Electronic structure calculations on fullerenes and their derivatives J Am Chem Soc, 39 (6458):
- [30] Electronic structure calculations of fluorohistidine isomers ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248