검색결과 : 16건
| No. | Article |
|---|---|
| 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 |
A Complete Active Space Valence-Bond (Casvb) Method Hirao K, Nakano H, Nakayama K, Dupuis M Journal of Chemical Physics, 105(20), 9227, 1996 |
| 5 |
Elimination and Activation of Methane and Larger Hydrocarbons Cundari TR, Matsunaga N, Moody EW Journal of Physical Chemistry, 100(16), 6475, 1996 |
| 6 |
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 |
| 7 |
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 |
| 8 |
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 |
| 9 |
Chn2- - A Biradical Anion and a Potentially New-Type of Reactive Intermediate Gordon MS, Kass SR Journal of Physical Chemistry, 99(17), 6548, 1995 |
| 10 |
Main-Group Effective Nuclear Charges for Spin-Orbit Calculations Koseki S, Gordon MS, Schmidt MW, Matsunaga N Journal of Physical Chemistry, 99(34), 12764, 1995 |