| 1 |
Implementation of state-averaged MCSCF method to RISM- and 3D-RISM-SCF schemes
Okamoto D, Watanabe Y, Yoshida N, Nakano H
Chemical Physics Letters, 730, 179, 2019 |
| 2 |
Issues involved in using MCSCF to investigate catalytic sites involving transition metals
Kim BH, Lund CRF
Journal of Molecular Catalysis A-Chemical, 188(1-2), 173, 2002 |
| 3 |
Quantum chemical analysis and visualization of plasma assisted direct mass conversions from methane into methanol
Kato S, Yamamoto Y, Hara T
Energy Conversion and Management, 42(15-17), 1853, 2001 |
| 4 |
Density functional study of absorption and resonance Raman spectra of pyromellitic diahydride (PMDA) anion
Andruniow T, Pawlikowski M, Zgierski MZ
Journal of Physical Chemistry A, 104(4), 845, 2000 |
| 5 |
Electric field gradient, generalized Sternheimer shieldings and electric field gradient polarizabilities by multiconfigurational SCF response
Rizzo A, Ruud K, Helgaker T, Jaszunski M
Journal of Chemical Physics, 109(6), 2264, 1998 |
| 6 |
Multiconfiguration Self-Consistent-Field Procedure Employing Linear Combination of Atomic-Electron Distributions
Tenno S, Iwata S
Journal of Chemical Physics, 105(9), 3604, 1996 |
| 7 |
Role of Spin-Orbit-Coupling and Symmetry in Triplet Carbenic Addition Chemistry
Su MD
Journal of Physical Chemistry, 100(11), 4339, 1996 |
| 8 |
Spin-Orbit-Coupling in Organic-Molecules - A Semiempirical Configuration-Interaction Approach Toward Triplet-State Reactivity
Bockmann M, Klessinger M, Zerner MC
Journal of Physical Chemistry, 100(25), 10570, 1996 |
| 9 |
New Approaches to Singlet-Triplet Spin-Orbit-Coupling in Photochemistry and Diradical Chemistry - Mechanistic and Exploratory Organic-Photochemistry
Zimmerman HE, Kutateladze AG
Journal of the American Chemical Society, 118(1), 249, 1996 |
| 10 |
Spin-Orbit-Coupling in Biradicals .1. The 2-Electrons-in-2-Orbitals Model Revisited
Michl J
Journal of the American Chemical Society, 118(15), 3568, 1996 |
