Accurate calculations of the noncovalent systems with flat potential energy surfaces: Naphthalene dimer and azulene dimer-Reference-Cited by-同舟云学术

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Accurate calculations of the noncovalent systems with flat potential energy surfaces: Naphthalene dimer and azulene dimer

Published:2017-07 Issue: Volume:1112 Page:52-60
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Chen Ying,Wang Yi-Bo,Zhang Yu,Wang Weizhou

Funder

Program for Science & Technology Innovation Talents in Universities of Henan Province

National Science Foundation of China

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference52 articles.

1. Potential energy surface for the benzene dimer. Results of ab initio CCSD(T) calculations show two nearly isoenergetic structures: T-shaped and parallel-displaced;Hobza;J. Phys. Chem.,1996

2. Molecular clusters of π-systems: theoretical studies of structures, spectra, and origin of interaction energies;Kim;Chem. Rev.,2000

3. Estimates of the ab initio limit for π-π interactions: the benzene dimer;Sinnokrot;J. Am. Chem. Soc.,2002

4. Highly accurate coupled cluster potential energy curves for the benzene dimer: sandwich, T-shaped, and parallel-displaced configurations;Sinnokrot;J. Phys. Chem. A,2004

5. Origin of attraction and directionality of the π/π Interaction: model chemistry calculations of benzene dimer interaction;Tsuzuki;J. Am. Chem. Soc.,2002

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1. Valuable insights into the structural, electronic, and aromaticity aspects of azulene and its monophospha-derivatives;Computational and Theoretical Chemistry;2024-05

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3. Superfast and Water‐Insensitive Polymerization on α‐Amino Acid N ‐Carboxyanhydrides to Prepare Polypeptides Using Tetraalkylammonium Carboxylate as the Initiator;Angewandte Chemie;2021-11-09

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