Ab Initio EOM-CCSD Spin−Spin Coupling Constants for Hydrogen-Bonded Formamide Complexes: Bridging Complexes with NH3, (NH3)2, H2O, (H2O)2, FH, and (FH)2-Reference-Cited by-同舟云学术

Ab Initio EOM-CCSD Spin−Spin Coupling Constants for Hydrogen-Bonded Formamide Complexes: Bridging Complexes with NH3, (NH3)2, H2O, (H2O)2, FH, and (FH)2

Published:2008-06-21 Issue:28 Volume:112 Page:6338-6343
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Del Bene Janet E.¹,Alkorta Ibon¹,Elguero José¹

Affiliation:

1. Department of Chemistry, Youngstown State University, Youngstown, Ohio 44555, and Instituto de Química Médica, CSIC, Juan de la Cierva 3, E-28006 Madrid, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp801519v

Reference66 articles.

1. aZabicky, J., Ed.The Chemistry of Amides (Chemistry of Functional Groups);Interscience:New York, 1970; p927.

2. bThe Amide Linkage: Structural Significance in Chemistry, Biochemistry, and Materials Science;Greenberg, A., Breneman, C. M., Liebman, J. F., Eds.John Wiley & Sons Inc.:New York, 2000; p653.

3. Proton NMR Chemical Shift Behavior of Hydrogen-Bonded Amide Proton of Glycine-Containing Peptides and Polypeptides as Studied by ab initio MO Calculation

4. Cooperativity in Amide Hydrogen Bonding Chains. A Comparison between Vibrational Coupling through Hydrogen Bonds and Covalent Bonds. Implications for Peptide Vibrational Spectra

5. Modeling Protein−RNA Interactions: An Electron-Density Study of the Formamide and Formic Acid Complexes with RNA Bases

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