검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
Bonding in Singlet and Triplet Butalene: Insights from Spin-Coupled Theory Cooper DL, Karadakov PB, Duke BJ Journal of Physical Chemistry A, 119(10), 2169, 2015 |
| 2 |
Spin-Coupled Theory for'N Electrons in M Orbitals' Active Spaces Karadakov PB, Cooper DL, Duke BJ, Li JB Journal of Physical Chemistry A, 116(26), 7238, 2012 |
| 3 |
Can the bis(diboranyl) structure of B4H10 be observed? The story continues Ramakrishna V, Duke BJ Inorganic Chemistry, 43(25), 8176, 2004 |
| 4 |
Extension of complete basis set model chemistries to molecules containing third row atoms Ga-Kr Ramakrishna V, Duke BJ Journal of Chemical Physics, 118(14), 6137, 2003 |
| 5 |
Gaussian-2 (G2) theory for third-row elements : A systematic study of the effect of the 3d orbitals Duke BJ, Radom L Journal of Chemical Physics, 109(9), 3352, 1998 |
| 6 |
Structurally-Rich Potential-Energy Surface of the Alagallylyne (Algah2) Molecule Thomas JR, Oleary P, Deleeuw BJ, Schaefer HF, Duke BJ, Oleary B Journal of Physical Chemistry, 100(18), 7372, 1996 |
| 7 |
The Ethylenedione Anion - Elucidation of the Intricate Potential-Energy Hypersurface Thomas JR, Deleeuw BJ, Oleary P, Schaefer HF, Duke BJ, Oleary B Journal of Chemical Physics, 102(16), 6525, 1995 |
| 8 |
Ab-Initio Characterization of a Triborane(9) Isomer with a Pentacoordinated Central Boron Atom Duke BJ, Gauld JW, Schaefer HF Journal of the American Chemical Society, 117(29), 7753, 1995 |