Dynamics of the O(1D) D2 reaction: A comparison between crossed molecular beam experiments and quasiclassical trajectory calculations on the lowest three potential energy surfaces

Molecular Beam ◽

Trajectory Calculations ◽

Energy Surfaces ◽

Dynamics of the C(1D)+H2reaction: A comparison of crossed molecular beam experiments with quantum mechanical and quasiclassical trajectory calculations on the first two singlet (11A′ and 11A″) potential energy surfaces

Molecular Physics ◽

10.1080/00268970903476696 ◽

2010 ◽

Vol 108 (3-4) ◽

pp. 373-380 ◽

Cited By ~ 25

Author(s):

Nadia Balucani ◽

Piergiorgio Casavecchia ◽

F.J Aoiz ◽

Luis Bañares ◽

Jean-Michel Launay ◽

...

Keyword(s):

Potential Energy ◽

Molecular Beam ◽

Quantum Mechanical ◽

Trajectory Calculations ◽

Energy Surfaces ◽

Long-range features of the F-HBr and F-HI potential energy surfaces from crossed molecular-beam experiments: a model analysis

Chemical Physics Letters ◽

10.1016/0009-2614(91)90080-s ◽

1991 ◽

Vol 177 (6) ◽

pp. 536-542 ◽

Cited By ~ 2

Author(s):

Lev Yu. Rusin ◽

Mikhail B. Sevryuk ◽

J.Peter Toennies

Keyword(s):

Potential Energy ◽

Long Range ◽

Molecular Beam ◽

Model Analysis ◽

Energy Surfaces ◽

Long-range features of potential energy surfaces for the interaction of fluorine atoms with hydrogen chloride, hydrogen bromide, and hydrogen iodide from crossed molecular beam experiments

The Journal of Physical Chemistry ◽

10.1021/j100174a044 ◽

1991 ◽

Vol 95 (21) ◽

pp. 8248-8255 ◽

Cited By ~ 18

Author(s):

Vincenzo Aquilanti ◽

David Cappelletti ◽

Fernando Pirani ◽

L. Yu. Rusin ◽

M. B. Sevryuk ◽

...

Keyword(s):

Potential Energy ◽

Hydrogen Chloride ◽

Long Range ◽

Molecular Beam ◽

Hydrogen Bromide ◽

Hydrogen Iodide ◽

Energy Surfaces ◽

The dynamics of the prototype abstraction reaction Cl(2P3/2,1/2)+ H2: A comparison of crossed molecular beam experiments with exact quantum scattering calculations on coupled ab initio potential energy surfaces

Physical Chemistry Chemical Physics ◽

10.1039/b410119g ◽

2004 ◽

Vol 6 (21) ◽

pp. 5007 ◽

Cited By ~ 26

Author(s):

Nadia Balucani ◽

Dimitris Skouteris ◽

Giovanni Capozza ◽

Enrico Segoloni ◽

Piergiorgio Casavecchia ◽

...

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Molecular Beam ◽

Quantum Scattering ◽

Exact Quantum ◽

Abstraction Reaction ◽

Energy Surfaces ◽

Quantum mechanical and quasiclassical simulations of molecular beam experiments for the F+H2→HF+H reaction on two ab initio potential energy surfaces

The Journal of Chemical Physics ◽

10.1063/1.477401 ◽

1998 ◽

Vol 109 (17) ◽

pp. 7224-7237 ◽

Cited By ~ 63

Author(s):

J. F. Castillo ◽

B. Hartke ◽

H.-J. Werner ◽

F. J. Aoiz ◽

L. Bañares ◽

...

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Molecular Beam ◽

Quantum Mechanical ◽

Validating potential energy surfaces for classical trajectory calculations

RSC Advances ◽

10.1039/c5ra06732d ◽

2015 ◽

Vol 5 (77) ◽

pp. 62805-62812 ◽

Cited By ~ 1

Author(s):

Huw O. Pritchard

Keyword(s):

Potential Energy ◽

Classical Trajectory ◽

Energy Distributions ◽

Trajectory Calculations ◽

Potential energy distributions for normal and reacting molecules.

Quasiclassical trajectory calculations of the thermal rate coefficient for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction on realistic double many-body expansion potential energy surfaces for ground-state hydroperoxy

The Journal of Physical Chemistry ◽

10.1021/j100326a059 ◽

1988 ◽

Vol 92 (15) ◽

pp. 4552-4555 ◽

Cited By ~ 42

Author(s):

L. A. M. Quintales ◽

A. J. C. Varandas ◽

J. M. Alvarino

Keyword(s):

Hydrogen Atom ◽

Oxygen Atom ◽

Potential Energy ◽

Ground State ◽

Rate Coefficient ◽

Many Body ◽

Trajectory Calculations ◽

Quasiclassical trajectory calculations of the diatom–diatom reaction OH+Cl2→HOCl+Cl using two model potential energy surfaces

Chemical Physics ◽

10.1016/s0301-0104(97)00382-0 ◽

1998 ◽

Vol 229 (2-3) ◽

pp. 233-244 ◽

Cited By ~ 2

Author(s):

A.M. Kosmas ◽

E. Drougas

Keyword(s):

Potential Energy ◽

Model Potential ◽

Trajectory Calculations ◽

Accuracy of the energy partitioning data obtained by classical trajectory calculations on potential energy surfaces constructed by interpolation: H2CO→H2 + CO as an example

The Journal of Chemical Physics ◽

10.1063/1.1287326 ◽

2000 ◽

Vol 113 (8) ◽

pp. 3098-3103 ◽

Cited By ~ 10

Author(s):

Bong June Sung ◽

Myung Soo Kim

Keyword(s):

Potential Energy ◽

Classical Trajectory ◽

Energy Partitioning ◽

Trajectory Calculations ◽

Quasiclassical Trajectory Calculations of Mg(3s3p1P1) + H2(υ = 0,N= 1) → MgH (υ,N) + H: Trajectory and Angular Momentum Analysis on Improved ab Initio Potential Energy Surfaces

The Journal of Physical Chemistry A ◽

10.1021/jp002352y ◽

2001 ◽

Vol 105 (1) ◽

pp. 41-47 ◽

Cited By ~ 12

Author(s):

Yu-Ming Hung ◽

King-Chuen Lin

Keyword(s):

Angular Momentum ◽

Potential Energy ◽

Ab Initio ◽

Trajectory Calculations ◽