AM
Moughal Shahi, Abdul Rehaman
| Title | Published in | Access level | OA Policy | Year | Views | Downloads | |
|---|---|---|---|---|---|---|---|
| Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study | Journal of chemical theory and computation |  | 2011 | 667 | 0 | ||
| Multiconfigurational perturbation theory : Recent developments and applications |  | 2010 | 1,047 | 782 | |||
| Second-order perturbation theory with complete and restricted active space reference functions applied to oligomeric unsaturated hydrocarbons | PCCP. Physical chemistry chemical physics | | 2009 | 714 | 531 | ||
| What Active Space Adequately Describes Oxygen Activation by a Late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of O2 with a Cu(I)-α-Ketocarboxylate | Journal of chemical theory and computation | | 2009 | 616 | 475 | ||
| Helicate Extension as a Route to Molecular Wires | Chemistry | | 2008 | 702 | 555 | ||
| A dichromium(II) bis([eta]⁸-pentalene) double-sandwich complex with a spin equilibrium : synthetic, structural, magnetic and theoretical studies | Organometallics | | 2008 | 784 | 754 | ||
| Stereoelectronic effects on molecular geometries and state-energy splittings of ligated monocopper dioxygen complexes | The journal of physical chemistry. A | | 2008 | 746 | 595 | ||
| The restricted active space followed by second-order perturbation theory method : theory and application to the study of CuO₂ and Cu₂O₂ systems | The Journal of chemical physics | | 2008 | 694 | 1,896 | ||
| Pocket and Antipocket conformations for the CH4@C84 endohedral fullerene | International journal of quantum chemistry | | 2007 | 669 | 450 | ||
| Quantum Chemical Characterization of Low-energy States of Calicene in the Gas Phase and Solution | Journal of organic chemistry | | 2007 | 747 | 637 | ||
| Self-sorting chiral subcomponent rearrangement during crystallization | Journal of the American Chemical Society | | 2007 | 669 | 903 | ||
| Early Excited State Dynamics of 6-Styryl-Substituted Pyrylium Salts Exhibiting Dual Fluorescence | The journal of physical chemistry. A | | 2006 | 692 | 517 |
