Secondary hydrogen-bonding effects on the nuclear magnetic shielding of the hydrogen nuclei in ice: in ab initio quantum-mechanical study

J. F Hinton; D. L Bennett

doi:10.1016/0009-2614(85)80171-8

Back

Secondary hydrogen-bonding effects on the nuclear magnetic shielding of the hydrogen nuclei in ice: in ab initio quantum-mechanical study

Journal article

Peer reviewed

Secondary hydrogen-bonding effects on the nuclear magnetic shielding of the hydrogen nuclei in ice: in ab initio quantum-mechanical study

J. F Hinton and D. L Bennett

Chemical physics letters, Vol.116(4), pp.292-294

1985

DOI: 10.1016/0009-2614(85)80171-8

View Online

Abstract

The chemical shift anisotropy and the isotropic magnetic shielding constant of the hydrogen nuclei in the (H2O)2, (H2O)3, (H2O)2 and H2O systems have been calculated using ab initio quantum-mechanical techniques. The results show that secondary hydrogen bonding has a significant effect on these two parameters. © 1985.

Physics

Atomic and molecular physics

Effects of atomic and molecular interactions on electronic structure

Electronic structure of atoms, molecules and their ions: theory

Environmental and solvent effects

Exact sciences and technology

Details

Title: Subtitle: Secondary hydrogen-bonding effects on the nuclear magnetic shielding of the hydrogen nuclei in ice: in ab initio quantum-mechanical study
Creators: J. F Hinton - University of Arkansas at Fayetteville
D. L Bennett - University of Arkansas at Fayetteville
Resource Type: Journal article
Publication Details: Chemical physics letters, Vol.116(4), pp.292-294
Publisher: Elsevier Science
DOI: 10.1016/0009-2614(85)80171-8
ISSN: 0009-2614
eISSN: 1873-4448
Language: English
Date published: 1985
Academic Unit: Radiology
Record Identifier: 9984318798802771

Metrics

2 Record Views

17 Times Cited - Web of Science