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Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory: The Lowest Doublet States Responsible for the N( 4 S u ) + C 2 ( a 3 Π u ) → CN( X 2 Σ + ) + C( 3 P g ) Reaction

Journal Article · · Journal of Chemical Theory and Computation
 [1];  [2];  [2];  [3]
  1. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States; OSTI
  2. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States
  3. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States
+ Show Author Affiliations

Not provided.

Research Organization:
Univ. of New Mexico, Albuquerque, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0015997
OSTI ID:
2420437
Journal Information:
Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 12 Vol. 18; ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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