검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Accurate Dissociation of Chemical Bonds Using DFT-in-DFT Embedding Theory with External Orbital Orthogonality Tamukong PK, Khait YG, Hoffmann MR Journal of Physical Chemistry A, 121(1), 256, 2017 |
| 2 |
Density Differences in Embedding Theory with External Orbital Orthogonality Tamukong PK, Khait YG, Hoffmann MR Journal of Physical Chemistry A, 118(39), 9182, 2014 |
| 3 |
GVVPT2 Multireference Perturbation Theory Description of Diatomic Scandium, Chromium, and Manganese Tamukong PK, Theis D, Khait YG, Hoffmann MR Journal of Physical Chemistry A, 116(18), 4590, 2012 |