Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular Structures-Reference-Cited by-同舟云学术

Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular Structures

Published:2022-02-10 Issue:7 Volume:126 Page:1300-1311
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Vuckovic Stefan¹²^ORCID

Affiliation:

1. Institute for Microelectronics and Microsystems (CNR-IMM), Via Monteroni, Campus Unisalento, 73100 Lecce, Italy

2. Department of Chemistry & Pharmaceutical Sciences and Amsterdam Institute of Molecular and Life Sciences (AIMMS), Faculty of Science, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands

Funder

H2020 Marie Sklodowska-Curie Actions

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

NSF

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c10688

Reference61 articles.

1. Quantifying and Understanding Errors in Molecular Geometries

2. A Chemist's Guide to Density Functional Theory

3. Beyond energies: geometry predictions with the XYG3 type of doubly hybrid density functionals

4. r2SCAN-3c: A “Swiss army knife” composite electronic-structure method

5. The prediction of molecular equilibrium structures by the standard electronic wave functions

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