Nucleus-independent chemical shift analysis of the electronic states of the (CO)4 , (CS)4 , and (CSe)4 molecules-Reference-Cited by-同舟云学术

Nucleus-independent chemical shift analysis of the electronic states of the (CO)4 , (CS)4 , and (CSe)4 molecules

Published:2015-06-08 Issue:1 Volume:37 Page:46-48
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Zhou Yunfei¹,Bao Xiaoguang¹,Borden Weston Thatcher²

Affiliation:

1. College of Chemistry, Chemical Engineering and Materials Science, Soochow University; 199 Ren-Ai Road, Suzhou Industrial Park Suzhou Jiangsu 215123 China

2. Department of Chemistry and the Center for Advanced; Scientific Computing and Modeling, University of North Texas; 1155 Union Circle, #305070, Denton Texas 76203-5070

Funder

Natural Science Foundation of China

Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD)

Robert A. Welch Foundation

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23962/fullpdf

Reference21 articles.

1. On the Stability of the Tetramers of Carbon Monoxide, Hydrogen Isocyanide, and Vinylidene. A Molecular Orbital Theoretical Rationalization

2. Stability of Tetraoxocyclobutane Revised: Perturbation Theory and Density Functional Scheme

3. Reinvestigation of the ordering of the low-lying electronic states of cyclobutanetetraone with CASPT2, CCSD(T), G3B3, ccCA, and CBS-QB3 calculations

4. Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4