共 50 条
- [41] A SEMI-EMPIRICAL CALCULATION OF HYDROGEN HYPERFINE COUPLING CONSTANTS IN SOME SIGMA ELECTRON RADICALSMOLECULAR PHYSICS, 1967, 12 (04) : 349 - +ATHERTON, NMHINCHLIFFE, A
- [42] Electronic states and band spectrum structure in diatomic molecules. VIII. Some empirical relations in sigma-type doublingPHYSICAL REVIEW, 1929, 33 (04): : 0507 - 0511Mulliken, RS
- [43] Calculation of molecular g-tensors using the zeroth-order regular approximation and density functional theory: expectation value versus linear response approachesTHEORETICAL CHEMISTRY ACCOUNTS, 2011, 129 (3-5) : 453 - 466Autschbach, JochenPritchard, Benjamin
- [44] Calculation of molecular g-tensors using the zeroth-order regular approximation and density functional theory: expectation value versus linear response approachesTheoretical Chemistry Accounts, 2011, 129 : 453 - 466Jochen AutschbachBenjamin Pritchard
- [45] STUDIES OF CATIONIC RADICALS IN GAMMA-IRRADIATED SINGLE-CRYSTALS OF ALPHA-AMINOISOBUTYRIC-ACID AND RELATED ALPHA-AMINO-ACIDS BY ELECTRON-SPIN RESONANCE AND SCF-MO INDO CALCULATIONJOURNAL OF PHYSICAL CHEMISTRY, 1977, 81 (17): : 1688 - 1699MINEGISHI, A
- [46] SEMI-EMPIRICAL MNDO-SCF STUDY OF THE MOLECULAR AND ELECTRONIC-STRUCTURES OF SOME PERMETHYLATED-SIGMA-STAR- RADICALSJOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1985, (02): : 299 - 302GLIDEWELL, C
- [47] Calculation of EPR g-tensors for transition metal complexes using a sum-over-states based CASSCF/CASPT2/RASSI-LSO methodRECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B, 2006, 7A-B : 1287 - 1287Vancoillie, Steven
- [48] Validation of the B3LYP/N07D and PBE0/N07D Computational Models for the Calculation of Electronic g-TensorsJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2009, 5 (01) : 192 - 199Barone, VincenzoCimino, Paola
- [49] CALCULATION OF 2-ATOMIC MOLECULES BY MO LCDO METHOD - 1,3-SIGMA-G+(1S-SIGMA-G, 2S-SIGMA-G), 1,3-SIGMA-G+(1S-SIGMA-G, 3S-SIGMA-G), 1,3-SIGMA-G+(1S-SIGMA-G, 4S-SIGMA-G) STATES OF MOLECULES H-2IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII FIZIKA, 1985, 28 (02): : 109 - 111KIRNOS, VNSAMSONOV, BFCHEGLOKOV, YI
- [50] V-3 ENERGY BARRIER CALCULATION BY USING S-P SEPARATION TYPE INDO-MOJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1991, 81 (3-4): : 471 - 480CHENG, CYANG, YWDEN, HSLU, LH