| 1 |
Experimental and theoretical studies on the intramolecular charge-transfer emission of phenyldisilanes
Yamamoto M, Kudo T, Ishikawa M, Tobita S, Shizuka H
Journal of Physical Chemistry A, 103(17), 3144, 1999 |
| 2 |
Full-Optimized Reaction Space Mcscf+mp2 Study on Reactions of Diradical Systems - O-C6H4(CH)(2), O-C6H4Chn, and O-C6H4N2
Koseki S, Tomioka H, Yamazaki K, Toyota A
Journal of Physical Chemistry A, 101(18), 3377, 1997 |
| 3 |
Ab-Initio Studies of Alternant X2Y2 Rings (X=n, P, as, and Sb and Y=o, S, Se, and Te) - Planar Versus Butterfly Structures
Mercero JM, Lopez X, Fowler JE, Ugalde JM
Journal of Physical Chemistry A, 101(30), 5574, 1997 |
| 4 |
Relativistic Potential-Energy Surfaces of Xh(2) (X=c, Si, Ge, Sn, and Pb) Molecules - Coupling of (1)A(1) and B-3(1) States
Matsunaga N, Koseki S, Gordon MS
Journal of Chemical Physics, 104(20), 7988, 1996 |
| 5 |
A Complete Active Space Valence-Bond (Casvb) Method
Hirao K, Nakano H, Nakayama K, Dupuis M
Journal of Chemical Physics, 105(20), 9227, 1996 |
| 6 |
Elimination and Activation of Methane and Larger Hydrocarbons
Cundari TR, Matsunaga N, Moody EW
Journal of Physical Chemistry, 100(16), 6475, 1996 |
| 7 |
Ring-Opening of Cyclopropylidene and Internal-Rotation of Allene
Bettinger HF, Schreiner PR, Schleyer PV, Schaefer HF
Journal of Physical Chemistry, 100(40), 16147, 1996 |
| 8 |
Density-Functional Methods Give Accurate Vibrational Frequencies and Spin-Densities for Phenoxyl Radical
Qin Y, Wheeler RA
Journal of Chemical Physics, 102(4), 1689, 1995 |
| 9 |
Spin-Adapted Open-Shell State-Selective Coupled-Cluster Approach and Doublet Stability of Its Hartree-Fock Reference
Li XZ, Paldus J
Journal of Chemical Physics, 102(5), 2013, 1995 |
| 10 |
A New Table-Direct Configuration-Interaction Method for the Evaluation of Hamiltonian Matrix-Elements in a Basis of Linear-Combinations of Spin-Adapted Functions
Krebs S, Buenker RJ
Journal of Chemical Physics, 103(13), 5613, 1995 |
