검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
Quantum Chemistry Studies of Electronically Excited Nitrobenzene, TNA, and TNT Quenneville J Journal of Physical Chemistry A, 115(44), 12286, 2011 |
| 2 |
Anharmonic vibrational properties of explosives from temperature-dependent Raman McGrane SD, Barber J, Quenneville J Journal of Physical Chemistry A, 109(44), 9919, 2005 |
| 3 |
DFT/electrostatic calculations of pK(a) values in cytochrome c oxidase Popovic DM, Quenneville J, Stuchebrukhov AA Journal of Physical Chemistry B, 109(8), 3616, 2005 |
| 4 |
Redox-dependent pK(a) of Cu-B histidine ligand in cytochrome c oxidase Quenneville J, Popovic DM, Stuchebrukhov AA Journal of Physical Chemistry B, 108(47), 18383, 2004 |
| 5 |
Ab initio study of cis-trans photoisomerization in stilbene and ethylene Quenneville J, Martinez TJ Journal of Physical Chemistry A, 107(6), 829, 2003 |
| 6 |
Quantum energy flow and trans-stilbene photoisomerization: an example of a non-RRKM reaction Leitner DM, Levine B, Quenneville J, Martinez TJ, Wolynes PG Journal of Physical Chemistry A, 107(49), 10706, 2003 |
| 7 |
Mechanism and dynamics of azobenzene photoisomerization Schultz T, Quenneville J, Levine B, Toniolo A, Martinez TJ, Lochbrunner S, Schmitt M, Shaffer JP, Zgierski MZ, Stolow A Journal of the American Chemical Society, 125(27), 8098, 2003 |
| 8 |
Ab initio multiple spawning: Photochemistry from first principles quantum molecular dynamics Ben-Nun M, Quenneville J, Martinez TJ Journal of Physical Chemistry A, 104(22), 5161, 2000 |