Quantum wave packet dynamics of the H + Li 2 reaction at state-to-state level of theory

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2017.06.026 ◽

2017 ◽

Vol 1115 ◽

pp. 248-252 ◽

Cited By ~ 5

Author(s):

Ziliang Zhu ◽

Bin Dong ◽

Wang Li

Keyword(s):

Wave Packet ◽

State Level ◽

Wave Packet Dynamics ◽

Quantum Wave

Download Full-text

Dynamical interference structures in fully coupled bound-bound state quantum wave-packet dynamics

Physical Review A ◽

10.1103/physreva.70.033418 ◽

2004 ◽

Vol 70 (3) ◽

Cited By ~ 12

Author(s):

Niklas Gador ◽

Bo Zhang ◽

Hans O. Karlsson ◽

Tony Hansson

Keyword(s):

Wave Packet ◽

Bound State ◽

Wave Packet Dynamics ◽

Quantum Wave ◽

Fully Coupled

Download Full-text

Erratum: “Quantum wave-packet dynamics of H+HLi scattering: Reaction cross section and thermal rate constant” [J. Chem. Phys. 121, 7681 (2004)]

The Journal of Chemical Physics ◽

10.1063/1.1836761 ◽

2005 ◽

Vol 122 (2) ◽

pp. 029902 ◽

Cited By ~ 3

Author(s):

R. Padmanaban ◽

S. Mahapatra

Keyword(s):

Wave Packet ◽

Cross Section ◽

Rate Constant ◽

Reaction Cross Section ◽

Chem Phys ◽

Reaction Cross ◽

Wave Packet Dynamics ◽

Quantum Wave ◽

Thermal Rate Constant

Download Full-text

Quantum wave packet dynamics of the 1 3A″ N(4S)+NO(X̃ 2Π)→N2(X̃ 1Σg+)+O(3P) reaction

The Journal of Chemical Physics ◽

10.1063/1.1606672 ◽

2003 ◽

Vol 119 (14) ◽

pp. 7156-7162 ◽

Cited By ~ 13

Author(s):

Pablo Gamallo ◽

Miguel González ◽

R. Sayós ◽

Carlo Petrongolo

Keyword(s):

Wave Packet ◽

Wave Packet Dynamics ◽

Quantum Wave

Download Full-text

Characterization of selective adsorption resonances for helium scattering from a highly corrugated surface using quantum wave packet dynamics

The Journal of Chemical Physics ◽

10.1063/1.479771 ◽

1999 ◽

Vol 111 (11) ◽

pp. 5167-5180 ◽

Cited By ~ 3

Author(s):

Vijaya Subramanian ◽

Rex T. Skodje

Keyword(s):

Wave Packet ◽

Selective Adsorption ◽

Corrugated Surface ◽

Wave Packet Dynamics ◽

Quantum Wave ◽

Helium Scattering

Download Full-text

Quantum Wave Packet Dynamics with Trajectories

Physical Review Letters ◽

10.1103/physrevlett.82.5190 ◽

1999 ◽

Vol 82 (26) ◽

pp. 5190-5193 ◽

Cited By ~ 300

Author(s):

Courtney L. Lopreore ◽

Robert E. Wyatt

Keyword(s):

Wave Packet ◽

Wave Packet Dynamics ◽

Quantum Wave

Download Full-text

Simulation Studies of Proton Transfer in N2H7+Cluster by Classical ab Initio Monte Carlo and Quantum Wave Packet Dynamics

The Journal of Physical Chemistry A ◽

10.1021/jp004514w ◽

2001 ◽

Vol 105 (31) ◽

pp. 7423-7428 ◽

Cited By ~ 35

Author(s):

Toshio Asada ◽

Haruya Haraguchi ◽

Kazuo Kitaura

Keyword(s):

Monte Carlo ◽

Wave Packet ◽

Proton Transfer ◽

Ab Initio ◽

Simulation Studies ◽

Wave Packet Dynamics ◽

Quantum Wave

Download Full-text

Comment on “Quantum Wave Packet Dynamics with Trajectories”

Physical Review Letters ◽

10.1103/physrevlett.85.894 ◽

2000 ◽

Vol 85 (4) ◽

pp. 894-894 ◽

Cited By ~ 9

Author(s):

Jordi Suñé ◽

Xavier Oriols

Keyword(s):

Wave Packet ◽

Wave Packet Dynamics ◽

Quantum Wave

Download Full-text

Photodissociation and Electronic Spectroscopy of Mn(H)(CO)3(H-DAB) (DAB = 1,4-Diaza-1,3-butadiene): Quantum Wave Packet Dynamics Based on ab Initio Potentials

Journal of the American Chemical Society ◽

10.1021/ja992069g ◽

1999 ◽

Vol 121 (50) ◽

pp. 11733-11743 ◽

Cited By ~ 25

Author(s):

Dominique Guillaumont ◽

Chantal Daniel

Keyword(s):

Wave Packet ◽

Ab Initio ◽

Electronic Spectroscopy ◽

Wave Packet Dynamics ◽

Ab Initio Potentials ◽

Quantum Wave

Download Full-text

Quantum wave packet dynamics with trajectories: reflections on a downhill ramp potential

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00620-5 ◽

2000 ◽

Vol 325 (1-3) ◽

pp. 73-78 ◽

Cited By ~ 33

Author(s):

Courtney L. Lopreore ◽

Robert E. Wyatt

Keyword(s):

Wave Packet ◽

Wave Packet Dynamics ◽

Quantum Wave

Download Full-text

Theoretical Elucidation of the Unusually High [HNC]/[HCN] Abundance Ratio in Interstellar Space: Two‐dimensional and Two‐State Quantum Wave Packet Dynamics Study on the Branching Ratio of the Dissociative Recombination Reaction HCNH++e−→ HNC/HCN + H

The Astrophysical Journal ◽

10.1086/498343 ◽

2006 ◽

Vol 636 (2) ◽

pp. 927-931 ◽

Cited By ~ 26

Author(s):

Keisaku Ishii ◽

Asami Tajima ◽

Tetsuya Taketsugu ◽

Koichi Yamashita

Keyword(s):

Wave Packet ◽

Branching Ratio ◽

Dissociative Recombination ◽

Abundance Ratio ◽

Interstellar Space ◽

Recombination Reaction ◽

Two Dimensional ◽

Wave Packet Dynamics ◽

Quantum Wave

Download Full-text