Experimental and quantum mechanical study of the H+D2 reaction near 0.5 eV: The assessment of the H3 potential energy surfaces

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

F+H2 collisions on two electronic potential energy surfaces: Quantum‐mechanical study of the collinear reaction

The Journal of Chemical Physics ◽

10.1063/1.438185 ◽

1979 ◽

Vol 71 (10) ◽

pp. 4132-4138 ◽

Cited By ~ 25

Author(s):

I. Harold Zimmerman ◽

Michael Baer ◽

Thomas F. George

Keyword(s):

Potential Energy ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Energy Surfaces ◽

Electronic Potential

Quantum Mechanical Study of the Correlation of Attack and Recoil Angles for the Cl + H2Reaction Using the Stereodirected and Discrete Variable Representations on Two Potential Energy Surfaces†

The Journal of Physical Chemistry A ◽

10.1021/jp054330n ◽

2006 ◽

Vol 110 (16) ◽

pp. 5289-5294 ◽

Cited By ~ 3

Author(s):

Dimitris Skouteris ◽

Antonio Laganà

Keyword(s):

Potential Energy ◽

Quantum Mechanical ◽

Discrete Variable ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Quantum mechanical study of potential energy curves of protons in hydrogen bonds of 7-azaindole dimer in the ground and excited states

Chemical Physics Letters ◽

10.1016/0009-2614(71)80405-0 ◽

1971 ◽

Vol 11 (4) ◽

pp. 539-541 ◽

Cited By ~ 17

Author(s):

V.I. Pechenaya ◽

V.I. Danilov

Keyword(s):

Hydrogen Bonds ◽

Potential Energy ◽

Excited States ◽

Potential Energy Curves ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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 ◽

Proper basis set for quantum mechanical studies of potential energy surfaces of carbohydrates

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(02)00096-9 ◽

2002 ◽

Vol 584 (1-3) ◽

pp. 1-4 ◽

Cited By ~ 69

Author(s):

G.I. Csonka

Keyword(s):

Potential Energy ◽

Basis Set ◽

Quantum Mechanical ◽

Energy Surfaces ◽

Mechanical Studies

Quantum-Mechanical Study of the Collision Dynamics of O2(3Σg−) + O2(3Σg−) on a New ab Initio Potential Energy Surface†

The Journal of Physical Chemistry A ◽

10.1021/jp905045b ◽

2009 ◽

Vol 113 (52) ◽

pp. 14952-14960 ◽

Cited By ~ 14

Author(s):

Jesús Pérez-Ríos ◽

Massimiliano Bartolomei ◽

José Campos-Martínez ◽

Marta I. Hernández ◽

Ramón Hernández-Lamoneda

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Quantum Mechanical ◽

Collision Dynamics ◽

Mechanical Study ◽

Quantum Mechanical Study

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 ◽

Crossed Molecular Beam

Dimers of the major components of the atmosphere: Realistic potential energy surfaces and quantum mechanical prediction of spectral features

Physical Chemistry Chemical Physics ◽

10.1039/b106672m ◽

2001 ◽

Vol 3 (18) ◽

pp. 3891-3894 ◽

Cited By ~ 37

Author(s):

V. Aquilanti ◽

M. Bartolomei ◽

D. Cappelletti ◽

E. Carmona-Novillo ◽

F. Pirani

Keyword(s):

Potential Energy ◽

Quantum Mechanical ◽

Spectral Features ◽

Realistic Potential ◽

Mechanical Prediction ◽

QUANTUM MECHANICAL STUDIES OF PHOTODISSOCIATION DYNAMICS USING ACCURATE GLOBAL POTENTIAL ENERGY SURFACES

Advanced Series in Physical Chemistry - Conical Intersections ◽

10.1142/9789812565464_0011 ◽

2004 ◽

pp. 473-519

Author(s):

Reinhard Schinke

Keyword(s):

Potential Energy ◽

Quantum Mechanical ◽

Energy Surfaces ◽

Mechanical Studies

Potential energy surfaces in hybrid quantum mechanical/molecular mechanical methods

International Journal of Quantum Chemistry ◽

10.1002/qua.1305 ◽

2001 ◽

Vol 84 (1) ◽

pp. 39-47 ◽

Cited By ~ 13

Author(s):

A. M. Tokmachev ◽

A. L. Tchougréeff

Keyword(s):

Potential Energy ◽

Quantum Mechanical ◽

Mechanical Methods ◽