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Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited (2)sigma(+) state of OH by molecular hydrogen 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 25
Authors:  Shu, Yinan;  Kryven, Joanna;  Sampaio de Oliveira-Filho, Antonio Gustavo;  Zhang, Linyao;  Song, Guo-Liang;  Li, Shaohong L.;  Meana-Paeda, Ruben;  Fu, Bina;  Bowman, Joel M.;  Truhlar, Donald G.
Favorite  |  View/Download:2/0  |  Submit date:2019/12/02
Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(3P) + Ethylene Reaction at High Collision Energy 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 0, 页码: 12498
Authors:  Nadia Balucani;  Francesca Leonori;  Piergiorgio Casavecchia;  Fu BN(傅碧娜);  Joel M. Bowman
Favorite  |  View/Download:18/0  |  Submit date:2016/11/24
Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(P-3) + Ethylene Reaction at High Collision Energy 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 50, 页码: 12498-12511
Authors:  Balucani, Nadia;  Leonori, Francesca;  Casavecchia, Piergiorgio;  Fu, Bina;  Bowman, Joel M.
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
Visible/Infrared Dissociation of NO3: Roaming in the Dark or Roaming on the Ground? 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 28, 页码: 7163-7168
Authors:  Fernando, Ravin;  Dey, Arghya;  Broderick, Bernadette M.;  Fu, Bina;  Homayoon, Zahra;  Bowman, Joel M.;  Suits, Arthur G.
Favorite  |  View/Download:24/0  |  Submit date:2015/11/17
A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH* by H-2 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2013, 卷号: 139, 期号: 4
Authors:  Conte, Riccardo;  Fu, Bina;  Kamarchik, Eugene;  Bowman, Joel M.
Favorite  |  View/Download:15/0  |  Submit date:2015/11/09
Quasiclassical trajectory studies of O-18(P-3) + NO2 isotope exchange and reaction to O-2 + NO on D-0 and D-1 potentials 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2013, 卷号: 139, 期号: 2
Authors:  Fu, Bina;  Zhang, Dong H.;  Bowman, Joel M.
Favorite  |  View/Download:18/0  |  Submit date:2015/11/09
Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D-0 and D-1 Potential Energy Surfaces 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 卷号: 9, 期号: 2, 页码: 893-900
Authors:  Fu, Bina;  Bowman, Joel M.;  Xiao, Hongyan;  Maeda, Satoshi;  Morokuma, Keiji
Favorite  |  View/Download:23/0  |  Submit date:2015/11/09
Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy Surfaces 期刊论文
Journal of Chemical Theory and Computation, 2013, 卷号: 9, 期号: 2, 页码: 893
Authors:  Fu BN(傅碧娜);  Joel M. Bowman;  Hongyan Xiao;  Satoshi Maeda;  Keiji Morokuma
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Quasiclassical trajectory studies of 18O(3P) + NO2 isotope exchange and reaction to O2 + NO on D0 and D1 potentials 期刊论文
Journal of Chemical Physics, 2013, 卷号: 139, 期号: 2, 页码: 024303
Authors:  Fu BN(傅碧娜);  Zhang DH(张东辉);  Joel M. Bowman
Adobe PDF(1068Kb)  |  Favorite  |  View/Download:136/69  |  Submit date:2014/09/11
A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH* by H2 期刊论文
Journal of Chemical Physics, 2013, 卷号: 139, 期号: 4, 页码: 044104
Authors:  Riccardo Conte;  Fu BN(傅碧娜);  Eugene Kamarchik;  Joel M. Bowman
Adobe PDF(905Kb)  |  Favorite  |  View/Download:117/30  |  Submit date:2014/09/11