Why it is sometimes difficult to determine the accurate position of a hydrogen atom by the semiexperimental method: Structure of molecules containing the OH or the CH3group-Reference-Cited by-同舟云学术

Why it is sometimes difficult to determine the accurate position of a hydrogen atom by the semiexperimental method: Structure of molecules containing the OH or the CH3group

Published:2014-10-18 Issue:32 Volume:35 Page:2333-2342
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Vogt Natalja¹²,Demaison Jean¹,Vogt Jürgen¹,Rudolph Heinz Dieter¹

Affiliation:

1. Department of Theoretical Chemistry; Chemical Information Systems, University of Ulm; D-89069 Ulm Germany

2. Department of Chemistry; Lomonosov Moscow State University; Moscow 119992 Russia

Funder

Dr. Barbara Mez-Starck Foundation

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference71 articles.

1. Cubic force constants and equilibrium geometry of methane from Hartree–Fock and correlated wavefunctions

2. A refined estimate of the bond length of methane

3. Accuracy of the rotational constants

4. Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants

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