Theoretical characterization of the potential energy surface for H+O2 = HO*2 = OH+O. III. Computed points to define a global potential energy surface

Stephen P. Walch; Ronald J. Duchovic

doi:10.1063/1.460240

Theoretical characterization of the potential energy surface for H+O2 = HO*2 = OH+O. III. Computed points to define a global potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.460240 ◽

1991 ◽

Vol 94 (11) ◽

pp. 7068-7075 ◽

Cited By ~ 54

Author(s):

Stephen P. Walch ◽

Ronald J. Duchovic

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Theoretical Characterization

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Theoretical characterization of the potential energy surface of the ground state of the HCO system

The Journal of Chemical Physics ◽

10.1063/1.440380 ◽

1980 ◽

Vol 73 (5) ◽

pp. 2304-2309 ◽

Cited By ~ 53

Author(s):

Thom. H. Dunning

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ground State ◽

Energy Surface ◽

Theoretical Characterization

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ChemInform Abstract: THEORETICAL CHARACTERIZATION OF THE POTENTIAL ENERGY SURFACE OF THE GROUND STATE OF THE HCO SYSTEM

Chemischer Informationsdienst ◽

10.1002/chin.198052066 ◽

1980 ◽

Vol 11 (52) ◽

Author(s):

T. H. JUN. DUNNING

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ground State ◽

Energy Surface ◽

Theoretical Characterization

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Erratum: Theoretical characterization of the potential energy surface for H+O2 = HO2* = OH+O. III. Computed points to define a global potential energy surface [J. Chem. Phys. 94, 7068 (1991)]

The Journal of Chemical Physics ◽

10.1063/1.462903 ◽

1992 ◽

Vol 96 (5) ◽

pp. 4050-4050 ◽

Cited By ~ 17

Author(s):

Stephen P. Walch ◽

Ronald J. Duchovic

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Chem Phys ◽

Theoretical Characterization

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Theoretical characterization of the potential energy surface for H+O2→HO*2→HO+O. II. The potential for H atom exchange in HO2

The Journal of Chemical Physics ◽

10.1063/1.457047 ◽

1989 ◽

Vol 91 (4) ◽

pp. 2373-2375 ◽

Cited By ~ 36

Author(s):

Stephen P. Walch ◽

Celeste McMichael Rohlfing

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Theoretical Characterization

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Theoretical characterization of the potential energy surface for the reaction of SiH3 with NO2. Nitrosilane, silylnitrite, and the nitro-nitrite rearrangement

Chemical Physics Letters ◽

10.1016/0009-2614(93)e1234-8 ◽

1993 ◽

Vol 216 (1-2) ◽

pp. 180-188 ◽

Cited By ~ 3

Author(s):

Theodore J. Packwood ◽

Michael Page

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Theoretical Characterization

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Theoretical characterization of the potential energy surface for H+N2→HN2. III. Calculations for the excited state surfaces

The Journal of Chemical Physics ◽

10.1063/1.461771 ◽

1991 ◽

Vol 95 (6) ◽

pp. 4277-4283 ◽

Cited By ~ 14

Author(s):

Stephen P. Walch

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Theoretical Characterization

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Theoretical characterization of the potential energy surface for NH+NO

The Journal of Chemical Physics ◽

10.1063/1.464340 ◽

1993 ◽

Vol 98 (2) ◽

pp. 1170-1177 ◽

Cited By ~ 41

Author(s):

Stephen P. Walch

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Theoretical Characterization

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Theoretical characterization of the potential energy surface for H+N2→HN2. II. Computed points to define a global potential

The Journal of Chemical Physics ◽

10.1063/1.459019 ◽

1990 ◽

Vol 93 (4) ◽

pp. 2384-2392 ◽

Cited By ~ 38

Author(s):

Stephen P. Walch

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Theoretical Characterization

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Characterization of intermediates on the 1O2 + R2S potential energy surface. A high-level ab initio study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00085-7 ◽

1998 ◽

Vol 422 (1-3) ◽

pp. 123-132 ◽

Cited By ~ 6

Author(s):

Christine Shangguan ◽

Michael A. McAllister

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Ab Initio Study ◽

High Level

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Accurate characterization of the lowest triplet potential energy surface of SO2 with a coupled cluster method

The Journal of Chemical Physics ◽

10.1063/1.5088959 ◽

2019 ◽

Vol 150 (14) ◽

pp. 144303

Author(s):

Praveen Kumar ◽

Jacek Kłos ◽

Bill Poirier ◽

Millard H. Alexander ◽

Hua Guo

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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