검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
Spectral Decomposition of the Reaction Force Constant Urcelay F, Toro-Labbe A, Gutierrez-Oliva S Journal of Physical Chemistry A, 124(12), 2372, 2020 |
| 2 |
Local network credits and local electricity trading: Results of virtual trials and the policy implications Rutovitz J, Oliva S, McIntosh L, Langham E, Teske S, Atherton A, Kelly S Energy Policy, 120, 324, 2018 |
| 3 |
Insights into the Mechanism of Ground and Excited State Double Proton Transfer Reaction in Formic Acid Dimer Giri S, Parida R, Jana M, Gutierrez-Oliva S, Toro-Labbe A Journal of Physical Chemistry A, 121(49), 9531, 2017 |
| 4 |
A Relation between Different Scales of Electrophilicity: Are the Scales Consistent Along a Chemical Reaction? Morell C, Herrera B, Gutierrez-Oliva S, Ceron ML, Grand A, Toro-Labbe A Journal of Physical Chemistry A, 116(26), 7074, 2012 |
| 5 |
Reaction Force Analysis of Solvent Effects in the Addition of HCl to Propene Burda JV, Murray JS, Toro-Labbe A, Gutierrez-Oliva S, Politzer P Journal of Physical Chemistry A, 113(23), 6500, 2009 |
| 6 |
Reversibility from DFT-Based Reactivity Indices: Intramolecular Side Reactions in the Polymerization of Poly(vinyl chloride) De Vleeschouwer F, Toro-Labbe A, Gutierrez-Oliva S, Van Speybroeck V, Waroquier M, Geerlings P, De Proft F Journal of Physical Chemistry A, 113(27), 7899, 2009 |
| 7 |
Reaction force decomposition of activation barriers to elucidate solvent effects Burda JV, Toro-Labbe A, Gutierrez-Oliva S, Murray JS, Politzer P Journal of Physical Chemistry A, 111(13), 2455, 2007 |
| 8 |
Multiphilic descriptor for chemical reactivity and selectivity Padmanabhan J, Parthasarathi R, Elango M, Subramanian V, Krishnamoorthy BS, Gutierrez-Oliva S, Toro-Labbe A, Roy DR, Chattaraj PK Journal of Physical Chemistry A, 111(37), 9130, 2007 |
| 9 |
Bridging the gap between the topological and orbital description of hydrogen bonding: The case of the formic acid dimer and its sulfur derivatives Gutierrez-Oliva S, Joubert L, Adamo C, Bulat FA, Zagal JH, Toro-Labbe A Journal of Physical Chemistry A, 110(15), 5102, 2006 |
| 10 |
On the mechanism of hydrogen transfer in the HSCH(O) reversible arrow (S)CHOH and HSNO reversible arrow SNOH reactions Gutierrrez-Oliva S, Herrera B, Toro-Labbe A, Chermette H Journal of Physical Chemistry A, 109(8), 1748, 2005 |