High-Level Ab Initio Predictions of Thermochemical Properties of Organosilicon Species: Critical Evaluation of Experimental Data and a Reliable Benchmark Database for Extending Group Additivity Approaches-Reference-Cited by-同舟云学术

High-Level Ab Initio Predictions of Thermochemical Properties of Organosilicon Species: Critical Evaluation of Experimental Data and a Reliable Benchmark Database for Extending Group Additivity Approaches

Published:2022-03-07 Issue:10 Volume:126 Page:1729-1742
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Vuori Hannu T.¹,Rautiainen J. Mikko¹^ORCID,Kolehmainen Erkki T.¹,Tuononen Heikki M.¹^ORCID

Affiliation:

1. Department of Chemistry, Nanoscience Centre, University of Jyväskylä, P.O. Box 35, Jyväskylä FI-40014, Finland

Funder

Jyv?skyl?n Yliopisto

Academy of Finland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c09980

Reference74 articles.

1. Modern Thermodynamics for Chemists and Biochemists

2. NATO Science Series C;Minas Da Piedade M. E.,1999

3. A computational chemist's guide to accurate thermochemistry for organic molecules

4. Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory

5. W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

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3. Computational thermochemistry: extension of Benson group additivity approach to organoboron compounds and reliable predictions of their thermochemical properties;Dalton Transactions;2022