검색결과 : 94건
| No. | Article |
|---|---|
| 1 |
Molecular Vertical Excitation Energies Studied with First-Order RASSCF (RAS[1,1]): Balancing Covalent and Ionic Excited States Tran T, Segarra-Marti J, Bearpark MJ, Robb MA Journal of Physical Chemistry A, 123(25), 5223, 2019 |
| 2 |
A Definition of the Magnetic Transition Temperature Using Valence Bond Theory Jornet-Somoza J, Deumal M, Borge J, Robb MA Journal of Physical Chemistry A, 122(8), 2168, 2018 |
| 3 |
Electronic Control of Initial Nuclear Dynamics Adjacent to a Conical Intersection Vacher M, Meisner J, Mendive-Tapia D, Bearpark MJ, Robb MA Journal of Physical Chemistry A, 119(21), 5165, 2015 |
| 4 |
First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate S=1/2 Antiferromagnetic Crystal Jornet-Somoza J, Deumal M, Robb MA, Landee CP, Turnbull MM, Feyerherm R, Novoa JJ Inorganic Chemistry, 49(4), 1750, 2010 |
| 5 |
A Straightforward Method of Analysis for Direct Quantum Dynamics: Application to the Photochemistry of a Model Cyanine Allan CSM, Lasorne B, Worth GA, Robb MA Journal of Physical Chemistry A, 114(33), 8713, 2010 |
| 6 |
Controlling Product Selection in the Photodissociation of Formaldehyde: Direct Quantum Dynamics from the S-1 Barrier Araujo M, Lasorne B, Magalhaes AL, Bearpark M, Robb MA Journal of Physical Chemistry A, 114(45), 12016, 2010 |
| 7 |
Counterintuitive Absence of an Excited-State Intramolecular Charge Transfer Reaction with 2,4,6-Tricyanoanilines. Experimental and Computational Results Zachariasse KA, Druzhinin SI, Galievsky VA, Kovalenko S, Senyushkina TA, Mayer P, Noltemeyer M, Boggio-Pasqua M, Robb MA Journal of Physical Chemistry A, 113(12), 2693, 2009 |
| 8 |
Photophysics of the pi,pi* and n,pi* States of Thymine: MS-CASPT2 Minimum-Energy Paths and CASSCF on-the-Fly Dynamics Asturiol D, Lasorne B, Robb MA, Blancafort L Journal of Physical Chemistry A, 113(38), 10211, 2009 |
| 9 |
Hydrogen Bonding Controls Excited-State Decay of the Photoactive Yellow Protein Chromophore Boggio-Pasqua M, Robb MA, Groenhof G Journal of the American Chemical Society, 131(38), 13580, 2009 |
| 10 |
The photochemistry of formaldehyde: Internal conversion and molecular dissociation in a single step? Araujo M, Lasorne B, Bearpark MJ, Robb MA Journal of Physical Chemistry A, 112(33), 7489, 2008 |