검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
The Anomalous Behavior of the Zeeman Anticrossing Spectra of (A)over-Tilde(1)A(U), Acetylene - Theoretical Considerations Vacek G, Sherrill CD, Yamaguchi Y, Schaefer HF Journal of Chemical Physics, 104(5), 1774, 1996 |
| 2 |
The (A)over-Tilde-(1)A(U) State and the T-2 Potential Surface of Acetylene - Implications for Triplet Perturbations in the Fluorescence-Spectra of the (A)over-Tilde State Sherrill CD, Vacek G, Yamaguchi Y, Schaefer HF, Stanton JF, Gauss J Journal of Chemical Physics, 104(21), 8507, 1996 |
| 3 |
An Ab-Initio Study on the Ground-State HBO-Boh System Richards CA, Vacek G, Deleeuw BJ, Yamaguchi Y, Schaefer HF Journal of Chemical Physics, 102(3), 1280, 1995 |
| 4 |
1st and 2nd Energy Derivative Analyses of the Vinylidene and Acetylene Triplet-State Potential-Energy Hypersurfaces Yamaguchi Y, Vacek G, Thomas JR, Deleeuw BJ, Schaefer HF Journal of Chemical Physics, 100(7), 4969, 1994 |
| 5 |
Comparative Energy Derivative Analyses of the HBO-Boh and Aloh-Halo Potential-Energy Hypersurfaces Yamaguchi Y, Deleeuw BJ, Vacek G, Richards CA, Schaefer HF Journal of Chemical Physics, 101(4), 3006, 1994 |
| 6 |
Oxirene - To Be or Not to Be Vacek G, Galbraith JM, Yamaguchi Y, Schaefer HF, Nobes RH, Scott AP, Radom L Journal of Physical Chemistry, 98(35), 8660, 1994 |
| 7 |
Deviations from Idealized Geometry - An Ab-Initio Investigation of (CH3)(2)Ax(2) Molecules (A=si, Ge, X=f, Cl) Vacek G, Mastryukov VS, Schaefer HF Journal of Physical Chemistry, 98(44), 11337, 1994 |
| 8 |
Substituted Oxirenes (X(2)C(2)O, X=bh2, CH3, NH2, Oh, F) - Can They Be Made Fowler JE, Galbraith JM, Vacek G, Schaefer HF Journal of the American Chemical Society, 116(20), 9311, 1994 |