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Title: First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C(1D) by N 2

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI: https://doi.org/10.1039/C8CP07171C · OSTI ID:1598420
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4]
  1. Nanjing Univ. (China); University of New Mexico
  2. Univ. of New Mexico, Albuquerque, NM (United States); Nanjing Univ. (China)
  3. Nanjing Univ. (China)
  4. Univ. of New Mexico, Albuquerque, NM (United States)
+ Show Author Affiliations

Intersystem crossing is a common and important nonadiabatic process in molecular systems. Revealed with a first-principles investigation, the quenching of C(1D) by N2is efficient due to multiple passagesvialong-lived collisional resonances, despite relatively small spin–orbit couplings.

Research Organization:
Univ. of New Mexico, Albuquerque, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
SC0015997
OSTI ID:
1598420
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 17 Vol. 21; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

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