共 50 条
- [41] THE USE OF PM3 SCF-MO QUANTUM-MECHANICAL CALCULATIONS TO REFINE NMR-DETERMINED STRUCTURES OF COMPLEXES OF ANTIFOLATE DRUGS WITH DIHYDROFOLATE-REDUCTASE IN SOLUTION JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 357 (03): : 207 - 216
- [44] PM3 semiempirical study and its comparison with X-ray crystal structure of 2-methyl-4-(4-methoxyphenylazo)phenol Structural Chemistry, 2006, 17 : 393 - 399
- [46] Structures of Complexes of Gossypol with Ferrous Sulfate Based on High-Performance Liquid Chromatography Separation, Spectroscopic Analysis, and PM3 calculations CHEMISTRYSELECT, 2019, 4 (19): : 5484 - 5488
- [47] AM1 AND PM3 SEMIEMPIRICAL CALCULATIONS ON 1-ARYL-3,3-DIETHYLTRIAZENES - CORRELATION OF BOND ORDERS WITH ROTATIONAL BARRIERS AND QUANTUM YIELDS OF PHOTOLYSIS JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (20): : 5246 - 5253
- [48] THEORETICAL-STUDIES USING THE SEMIEMPIRICAL METHOD PM3 FOR THE ADDUCTS - PERFLUOR-CROWN-ETHER-OXYGEN, POTENTIAL TRANSPORTERS OF OXYGEN FOR BIOMEDICAL USES ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 230 - CHED
- [49] Molecular modeling (MM2 and PM3) and experimental (NMR and thermal analysis) studies on the inclusion complex of salbutamol and β-cyclodextrin JOURNAL OF ORGANIC CHEMISTRY, 2000, 65 (25): : 8510 - 8517