Nuclear quantum effects in calculated NMR shieldings of benzene; a Feynman path integral study-Reference-Cited by-同舟云学术

Nuclear quantum effects in calculated NMR shieldings of benzene; a Feynman path integral study

Published:2001-07-10 Issue:13 Volume:99 Page:1155-1158
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

SCHULTE JOACHIM¹,RAMÍREZ RAFAEL²,BÖHM MICHAEL C.³

Affiliation:

1. a Bruker Analytik GmbH , Silberstreifen , D-76287 , Rheinstetten , Germany

2. b Instituto de Ciencia de Materiales, Consejo Superior de Investigaciones Cientificas , Cantoblanco , E-28049 , Madrid , Spain

3. c Institut für Physikalische Chemie, Physikalische Chemie III, Technische Universität Darmstadt , D-64287 , Darmstadt , Germany

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268970110043048

Reference29 articles.

1. Accurate Calculation of NMR Chemical Shifts

2. A comparison of models for calculating nuclear magnetic resonance shielding tensors

3. Fleischer , U. Kutzelnigg , W. and Van Wüllen , C. 1998. Encyclopedia of Computational Chemistry Edited by: Schleyer , P. v. R. 1287Chichester: Wiley.

4. Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. 3. Application to hydrocarbons and other organic molecules

5. Localized orbital/local origin method for calculation and analysis of NMR shieldings. Applications to13C shielding tensors

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