Large-scale calculations of gas phase thermochemistry: Enthalpy of formation, standard entropy, and heat capacity-Reference-Cited by-同舟云学术

Large-scale calculations of gas phase thermochemistry: Enthalpy of formation, standard entropy, and heat capacity

Published:2016-09-21 Issue:11 Volume:145 Page:114305
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ghahremanpour Mohammad M.¹,van Maaren Paul J.¹^ORCID,Ditz Jonas C.¹,Lindh Roland²,van der Spoel David¹^ORCID

Affiliation:

1. Uppsala Centre for Computational Chemistry, Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden

2. Uppsala Centre for Computational Chemistry, Department of Chemistry at Ångström, Uppsala University, Box 538, SE-75121 Uppsala, Sweden

Funder

Swedish National Infrastructure for Computing

Vetenskapsrådet (VR)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4962627

Reference69 articles.

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4. Chemical Properties, Environmental Fate, and Degradation of Seven Classes of Pollutants

5. The quest for new functionality

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