Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations-Reference-Cited by-同舟云学术

Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations

Published:2014-11-19 Issue:12 Volume:10 Page:5426-5435
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Howard J. Coleman¹,Gray Jessica L.¹,Hardwick Amanda J.¹,Nguyen Linh T.¹,Tschumper Gregory S.¹

Affiliation:

1. Department of Chemistry and Biochemistry, University of Mississippi, University, Mississippi 38677-1848 United States

Funder

Division of Chemistry

Office of Experimental Program to Stimulate Competitive Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500860v

Reference114 articles.

1. Molecular‐Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O

2. Theory of the Hydrogen Bond: Electronic Structure and Properties of the Water Dimer

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