Conformational Energy Benchmark for Longer <i>n</i>-Alkane Chains-Reference-Cited by-同舟云学术

Conformational Energy Benchmark for Longer n-Alkane Chains

Published:2022-05-26 Issue:22 Volume:126 Page:3521-3535
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Ehlert Sebastian¹^ORCID,Grimme Stefan¹^ORCID,Hansen Andreas¹^ORCID

Affiliation:

1. Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry, University of Bonn, Beringstrasse 4, 53115 Bonn, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c02439

Reference142 articles.

1. Open chain compounds with preferred conformations1

2. The Origin of Systematic Error in the Standard Enthalpies of Formation of Hydrocarbons Computed via Atomization Schemes

3. Efficient Quantum Chemical Calculation of Structure Ensembles and Free Energies for Nonrigid Molecules

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