Interaction of ethane with singlet oxygen: A theoretical study of potential energy surfaces

Journal of Physics Conference Series ◽

10.1088/1742-6596/1891/1/012020 ◽

2021 ◽

Vol 1891 (1) ◽

pp. 012020

Author(s):

V. Pelevkin ◽

Alexey ◽

S. Sharipov ◽

Alexander

Keyword(s):

Potential Energy ◽

Singlet Oxygen ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Energy Surfaces

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Theoretical study of ground and excited state potential energy surfaces for the Ca + -H 2 complex

Molecular Physics ◽

10.1080/002689700162414 ◽

2000 ◽

Vol 98 (7) ◽

pp. 419-427 ◽

Author(s):

E. Czuchaj, M. Krosnicki, H. Stoll

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

State Potential ◽

Energy Surfaces

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Theoretical study on the mechanism of the N2H4 plus O2 reaction on the singlet and triplet potential energy surfaces

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2017.02.007 ◽

2017 ◽

Vol 1104 ◽

pp. 47-55 ◽

Author(s):

Somaie Asgharzade ◽

Morteza Vahedpour ◽

Hamed Douroudgari

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Energy Surfaces

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A theoretical study on structures, stabilities, and potential energy surfaces of planar BnP2 (n=1–7)

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2010.12.009 ◽

2011 ◽

Vol 964 (1-3) ◽

pp. 121-132 ◽

Author(s):

Chunyan He ◽

Jingling Shao ◽

Rongwei Shi ◽

Xiaolei Zhu

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Energy Surfaces

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Theoretical Study of the Potential Energy Surfaces of the Van Der Waals H2O−X2+(X = Cl or Br) Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp709831q ◽

2008 ◽

Vol 112 (4) ◽

pp. 722-727

Author(s):

Tahra Ayed ◽

Ramón Hernández Lamoneda ◽

Kenneth C. Janda

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Van Der Waals ◽

Energy Surfaces

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A theoretical study of SiCN and SiNC in the X˜2Π electronic state based on global potential energy surfaces

Chemical Physics Letters ◽

10.1016/j.cplett.2011.08.078 ◽

2011 ◽

Vol 514 (4-6) ◽

pp. 239-243 ◽

Author(s):

Ikuo Tokue ◽

Shinkoh Nanbu

Keyword(s):

Potential Energy ◽

Electronic State ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Energy Surfaces

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Theoretical study of the lowest potential energy surfaces for the reaction O(3P) + HBr(X 1∑+) → OH(X 2Π) + Br(2P)

Chemical Physics ◽

10.1016/0301-0104(93)85067-i ◽

1993 ◽

Vol 178 (1-3) ◽

pp. 279-286 ◽

Author(s):

Jan Urban ◽

Volker Staemmler

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Energy Surfaces

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The role of the ground and excited potential energy surfaces in the O(1D and 3P)+SiH4 reactions: A theoretical study

The Journal of Chemical Physics ◽

10.1063/1.1370528 ◽

2001 ◽

Vol 114 (24) ◽

pp. 10816-10834 ◽

Author(s):

Thanh Lam Nguyen ◽

Alexander M. Mebel ◽

Sheng H. Lin

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Energy Surfaces

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Theoretical study of potential energy surfaces for interactions of Pd2 with CO

The Journal of Chemical Physics ◽

10.1063/1.470912 ◽

1996 ◽

Vol 104 (4) ◽

pp. 1471-1476 ◽

Author(s):

Dingguo Dai ◽

S. Roszak ◽

K. Balasubramanian

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Energy Surfaces

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A Theoretical Study of the S + C3H Reaction: Potential Energy Surfaces

The Journal of Physical Chemistry A ◽

10.1021/jp011532k ◽

2001 ◽

Vol 105 (45) ◽

pp. 10384-10392 ◽

Author(s):

J. R. Flores ◽

F. J. Gómez

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Reaction Potential ◽

Energy Surfaces

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A theoretical study of cyclohexadiene/hexatriene photochemical interconversion: multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays

Chemical Physics Letters ◽

10.1016/j.cplett.2004.11.111 ◽

2005 ◽

Vol 401 (4-6) ◽

pp. 487-491 ◽

Author(s):

Hiroyuki Tamura ◽

Shinkoh Nanbu ◽

Hiroki Nakamura ◽

Toshimasa Ishida

Keyword(s):

Potential Energy ◽

Interaction Potential ◽

Configuration Interaction ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Transition Probabilities ◽

Interaction Potential Energy ◽

Energy Surfaces

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