Accurate time-dependent wave packet calculation for the reaction of Al(2P) + H2<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:mfenced open="(" close=")"><mml:mrow><mml:mrow><mml:msup><mml:mi>X</mml:mi><mml:mn>1</mml:mn></mml:msup><mml:msubsup><mml:mo>∑</mml:mo><mml:mi>g</mml:mi><mml:mo>+</mml:mo></mml:msubsup></mml:mrow></mml:mrow></mml:mfenced></mml:math> on the AlH2(12A′) surface-Reference-Cited by-同舟云学术

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Accurate time-dependent wave packet calculation for the reaction of Al(2P) + H2X1∑g+ on the AlH2(12A′) surface

Published:2022-11 Issue: Volume:807 Page:140095
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Wang Hainan,Zhang ChengYuan,Chen Jiaxin,Lü Yanling,Guo Qiang,Li Yongqing

Funder

National Natural Science Foundation of China

Liaoning Revitalization Talents Program

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference30 articles.

1. Accurate global adiabatic potential energy surfaces for three low-lying electronic states of AlH2 free radicals;Chai;Phys. Chem. Chem. Phys.,2020

2. Molecular Spectra and Molecular Structure;Herzberg;Electronic Spectra and Electronic Structure of Polyatomic Molecules,1966

3. Photochemical reactions of matrix-isolated aluminum atoms with methane and molecular hydrogen. 2. Molecular hydrogen;Parnis;J. Phys. Chem.,1989

4. Reactions of pulsed-laser ablated aluminum atoms with hydrogen: infrared spectra of aluminum hydride (AlH, AlH2, AlH3, and Al2H2) species;Chertihin;J. Phys. Chem.,1993

5. Electronic spectroscopy and excited state dynamics of the Al–H2/D2 complex;Tan;Faraday. Discuss.,2001

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