A Cyclic Periodic Wave Function Approach for the Study of Infinitely Periodic Solid-State Systems. I. Application to the C–H···π(C≡C) Hydrogen Bonding Systems
Author:
Affiliation:
1. Department of Chemistry, Rutgers University—Newark, The State University of New Jersey, 73 Warren Street, Newark, New Jersey 07102, United States
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acsomega.0c04095
Reference66 articles.
1. Watkins, G. D.; Messmer, R. P. Computational Methods For Large Molecules And Localized States In Solids; Herman, F., McLean, A. D., Nesbet, R. K., Eds. Plenum Press: New York-London, 1973; pp 133–147.
2. Molecular-Orbital Treatment for Deep Levels in Semiconductors: Substitutional Nitrogen and the Lattice Vacancy in Diamond
3. Molecular Orbital Study of Crystalline Acetic Acid. 2. Aggregates in One, Two, and Three Dimensions
4. Importance of high‐order interactions in models of molecular solids at high pressure
5. H-Bonding Cooperativity and Energetics of α-Helix Formation of Five 17-Amino Acid Peptides
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2. Development of a Cyclic Periodic Wave Function Approach for the Study of Infinitely Periodic Solid-State Systems;ACS Omega;2020-11-24
3. A Cyclic Periodic Wave Function Approach for the Study of Infinitely Periodic Solid-State Systems: II. Application to Helical Polysaccharides;ACS Omega;2020-10-14
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