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Title: On the ground and excited electronic states of LaCO and AcCO

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI: https://doi.org/10.1039/D4CP03132F · OSTI ID:2475880
ORCiD logo [1]
  1. Physics and Chemistry of Materials (T-1), Los Alamos National Laboratory, Los Alamos, NM 87545, USA
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MRCI, MRCI+Q, and CCSD(T) calculations were performed to investigate the low-lying states of LaCO and AcCO species and their potential energy curves, geometries, and energy related properties are reported.

Sponsoring Organization:
USDOE
Grant/Contract Number:
NONE; 89233218CNA000001
OSTI ID:
2475880
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 45 Vol. 26; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

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