New Empirical Procedures for Improving ab Initio Energetics
Author:
Affiliation:
1. Computational Chemistry Group, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp025706p
Reference54 articles.
1. Irikura, K. K.; Frurip, D. J. InComputational Thermochemistry: Prediction andEstimation of Molecular Thermodynamics; Irikura, K. K., Frurip, D. J., Eds.; ACS Symposium Series 677; American Chemical Society: Washington, DC, 1998; pp 2−18.
2. Group equivalents for convertingab initio energies to enthalpies of formation
3. Triplet-state dynamics of pyrazine at low vapor pressures as studied by electron-impact-induced phosphorescences
4. Peptide plane orientations determined by fundamental and overtone nitrogen 14 NMR
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