Quantum mechanical study of rotationally inelastic collisions on a helium + hydroxyl (A2.SIGMA.+) excited potential energy surface

S. C. Farantos; A. Vegiri

doi:10.1021/j100321a005

Quantum mechanical study of rotationally inelastic collisions on a helium + hydroxyl (A2.SIGMA.+) excited potential energy surface

The Journal of Physical Chemistry ◽

10.1021/j100321a005 ◽

1988 ◽

Vol 92 (10) ◽

pp. 2719-2723 ◽

Cited By ~ 8

Author(s):

S. C. Farantos ◽

A. Vegiri

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Inelastic Collisions ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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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

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Quantum Mechanical Study of the Potential Energy Surface of the ClO + NO2Reaction

Journal of Chemical Information and Modeling ◽

10.1021/ci0497962 ◽

2005 ◽

Vol 45 (1) ◽

pp. 58-64 ◽

Cited By ~ 5

Author(s):

Saša Kovačič ◽

Antonija Lesar ◽

Milan Hodošček

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional

The Journal of Chemical Physics ◽

10.1063/1.4982051 ◽

2017 ◽

Vol 146 (16) ◽

pp. 164706 ◽

Cited By ~ 12

Author(s):

Tianhui Liu ◽

Bina Fu ◽

Dong H. Zhang

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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A three-dimensional quantum mechanical study of the F + H2/D2 reactions. On a new potential energy surface

Chemical Physics Letters ◽

10.1016/0009-2614(96)00588-x ◽

1996 ◽

Vol 257 (5-6) ◽

pp. 421-428 ◽

Cited By ~ 41

Author(s):

Efrat Rosenman ◽

Sipora Hochman-Kowal ◽

Avigdor Persky ◽

Michael Baer

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Three Dimensional ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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Improved quantum mechanical study of the potential energy surface for the bithiophene molecule

The Journal of Chemical Physics ◽

10.1063/1.1288383 ◽

2000 ◽

Vol 113 (10) ◽

pp. 4206-4215 ◽

Cited By ~ 46

Author(s):

Hélio A. Duarte ◽

Hélio F. Dos Santos ◽

Willian R. Rocha ◽

Wagner B. De Almeida

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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A three-dimensional quantum mechanical study of the reaction O + O3 → 2O2 employing a six-dimensional potential energy surface

Chemical Physics Letters ◽

10.1016/0009-2614(94)01239-3 ◽

1994 ◽

Vol 231 (2-3) ◽

pp. 253-256 ◽

Cited By ~ 17

Author(s):

H. Szichman ◽

A.J.C. Varandas ◽

M. Baer

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Three Dimensional ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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Combined quantum mechanical–molecular mechanical study of catalysis by the enzyme phospholipase A2: an investigation of the potential energy surface for amide hydrolysis

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29910002025 ◽

1991 ◽

pp. 2025-2032 ◽

Cited By ~ 26

Author(s):

Bohdan Waszkowycz ◽

Ian H. Hillier ◽

Nigel Gensmantel ◽

David W. Payling

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Phospholipase A2 ◽

Energy Surface ◽

Quantum Mechanical ◽

Amide Hydrolysis ◽

Mechanical Study

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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

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Quantum mechanical studies on the singlet and triplet potential energy surface of the reactions CF3O2 + I, CF3O + OI and CF3 + OIO

Molecular Physics ◽

10.1080/00268976.2017.1377850 ◽

2017 ◽

Vol 116 (2) ◽

pp. 212-221

Author(s):

Evangelos Drougas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Quantum Mechanical ◽

Mechanical Studies

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Investigation of rotational state-changing collisions of C2N− ions with helium

Proceedings of the International Astronomical Union ◽

10.1017/s1743921319007580 ◽

2019 ◽

Vol 15 (S350) ◽

pp. 443-444

Author(s):

Jan Franz ◽

Francesco Antonio Gianturco

Keyword(s):

Dipole Moment ◽

Potential Energy ◽

Potential Energy Surface ◽

Cross Sections ◽

Energy Surface ◽

Inelastic Collisions ◽

Atomic Gases ◽

Molecular Anion ◽

Helium Atoms ◽

Molecular Anions

AbstractThe cross sections for rotational inelastic collisions between atoms and a molecular anion can be very large, if the anion has a dipole moment. This makes molecular anions very efficient in cooling atomic gases. We address rotational inelastic collisions of Helium atoms with the molecular anion C2N–. Here we present preliminary calculations of the potential energy surface.

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