How reliable are ab initio calculations? Experimental and theoretical investigation of the structure and conformation of chlorocarbonyl isocyanate, ClC(O)NCO-Reference-Cited by-同舟云学术

How reliable are ab initio calculations? Experimental and theoretical investigation of the structure and conformation of chlorocarbonyl isocyanate, ClC(O)NCO

Published:1989-10 Issue: Volume:200 Page:277-288
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Mack Hans-Georg,Oberhammer Heinz,Della Védova C.O.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference39 articles.

1. Conformational Analysis. The Structure and Torsional Potential of 1,3-Butadiene as Studied by Gas Electron Diffraction.

2. Determination of the torsional potential function of 1,3‐butadiene

3. Vibrational spectrum and structure of the second stable rotamer of butadiene-1,3

4. Conformational analysis of 1,3-butadiene

5. Torsional Potential Function of Glyoxal

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3. Chlorodifluoroacetyl Isocyanate, ClF2CC(O)NCO: Preparation and Structural and Spectroscopic Studies;The Journal of Physical Chemistry A;2012-11-13

4. Complete basis set, hybrid-density functional theory study, and natural bond orbital interpretations of the conformational behavior of halocarbonyl, thiocarbonyl, and selenocarbonyl isocyanates;Canadian Journal of Chemistry;2012-04

5. Spectroscopic and Structural Studies of Difluorophosphoryl Azide F2P(O)N3, Difluorophosphoryl Isocyanate F2P(O)NCO, and Difluorophosphoric Acid Anhydride, F2(O)POP(O)F2;Inorganic Chemistry;2010-02-09