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- [1] Calculation of the electronic structure of proteins using semiempirical methods. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U207 - U207
- [2] Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states JOURNAL OF CHEMICAL PHYSICS, 2023, 158 (12):
- [3] ELECTRONIC STRUCTURE OF AMINOBORANE - A COMPARISON BETWEEN NONEMPIRICAL AND SEMIEMPIRICAL THEORETICAL METHODS JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (17): : 2566 - +
- [4] SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methods JOURNAL OF CHEMICAL PHYSICS, 2023, 158 (07):
- [5] Semiempirical calculation of the electronic structure of proteins ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 141 - COMP
- [7] Theory and range of modern semiempirical molecular orbital methods Theoretical Chemistry Accounts, 2005, 113 : 1 - 14
- [9] SEMIEMPIRICAL STUDY OF ELECTRONIC-STRUCTURE OF CALCIUM JOURNAL OF PHYSICS F-METAL PHYSICS, 1975, 5 (06): : 1135 - 1145
- [10] Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods JOURNAL OF CHEMICAL PHYSICS, 2018, 149 (10):