INTERPOLATED POTENTIAL ENERGY SURFACE AND REACTION DYNAMICS FOR CH+H2O REACTION

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MOUSAVIPOUR S.H.; MAZAREI E.

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Seminar Paper

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Seminar: IRANIAN PHYSICAL CHEMISTRY CONFERENCE
Year:2016 | Issue:18

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Title

INTERPOLATED POTENTIAL ENERGY SURFACE AND REACTION DYNAMICS FOR CH+H2O REACTION

Author(s)

MOUSAVIPOUR S.H. | MAZAREI E. | Issue Writer Certificate

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Abstract

A GOAL OF CHEMICAL DYNAMICS IS TO OBTAIN A MICROSCOPIC PICTURE OF HOW ENERGY FLOWS AND ATOMS MOVE DURING THE COURSE OF A CHEMICAL REACTION [1]. CLASSICAL TRAJECTORY CALCULATIONS GIVE A COMPLETE PICTURE OF THE REACTION EVENTS. IN THIS STUDY, CLASSICAL DYNAMICS SIMULATION OF THE TITLE REACTION ON AN INTERPOLATED AB INITIO POTENTIAL ENERGY SURFACE (PES) HAS BEEN CARRIED OUT TO STUDY THE DYNAMICS OF THE REACTION OF CH RADICAL WITH H2O. ...

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APA: Copy

MOUSAVIPOUR, S.H., & MAZAREI, E.. (2016). INTERPOLATED POTENTIAL ENERGY SURFACE AND REACTION DYNAMICS FOR CH+H₂O REACTION. IRANIAN PHYSICAL CHEMISTRY CONFERENCE. SID. https://sid.ir/paper/924025/en

Vancouver: Copy

MOUSAVIPOUR S.H., MAZAREI E.. INTERPOLATED POTENTIAL ENERGY SURFACE AND REACTION DYNAMICS FOR CH+H₂O REACTION. 2016. Available from: https://sid.ir/paper/924025/en

IEEE: Copy

S.H. MOUSAVIPOUR, and E. MAZAREI, “INTERPOLATED POTENTIAL ENERGY SURFACE AND REACTION DYNAMICS FOR CH+H₂O REACTION,” presented at the IRANIAN PHYSICAL CHEMISTRY CONFERENCE. 2016, [Online]. Available: https://sid.ir/paper/924025/en

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