Fulminic acid: a quasibent spectacle-Reference-Cited by-同舟云学术

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Fulminic acid: a quasibent spectacle

Published:2024 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Allen Ashley M.¹^ORCID,Olive Laura N.¹^ORCID,Gonzalez Franco Patricia A.¹^ORCID,Barua Shiblee R.¹^ORCID,Allen Wesley D.¹^ORCID,Schaefer Henry F.¹^ORCID

Affiliation:

1. Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, USA

Abstract

The 200-year problem of the structure and vibrations of HCNO is solved by pushing electronic structure theory through AE-CCSDTQ(P)/CBS + MVD1.

Funder

Division of Chemistry

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP02700K

Reference173 articles.

1. Fulminic Acid in the History of Organic Chemistry

2. Artificial Neural Network-Derived Unified Six-Dimensional Potential Energy Surface for Tetra Atomic Isomers of the Biogenic [H, C, N, O] System

3. CHNO isomers and derivatives – a computational overview

4. CHNO – Formylnitrene, Cyanic, Isocyanic, Fulminic, and Isofulminic Acids and their Interrelationships at DFT and CASPT2 Levels of Theory

5. MP2 or B3LYP: computed bond distances compared with CCSD(T)/cc-pVQZ

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