Theoretical investigation of the structures, stabilities, and vibrational and rotational spectroscopic parameters of linear HOMgNC and HMgNCO molecules by density functional theory and coupled-cluster method-Reference-Cited by-同舟云学术

Theoretical investigation of the structures, stabilities, and vibrational and rotational spectroscopic parameters of linear HOMgNC and HMgNCO molecules by density functional theory and coupled-cluster method

Published:2022 Issue:17 Volume:46 Page:7879-7891
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Bai Jie¹,Yu Hai-Tao¹^ORCID

Affiliation:

1. School of Chemistry and Materials Science, Heilongjiang University, Harbin, 150080, P. R. China

Abstract

Linear HOMgNC and HMgNCO molecules: two appropriate candidates for interstellar observation and experimental preparation.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D2NJ00715K

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5. Reaction pathway and energy disposal of the CaH product in the reaction of Ca(4s4p 1P1)+CH4→CaH(X 2∑+)+CH3

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