The role of torsional motion on the properties of propiolic acid and its H/D isotopic analogs: A density functional study using SCTST and a full anharmonic VPT2 model-Reference-Cited by-同舟云学术

The role of torsional motion on the properties of propiolic acid and its H/D isotopic analogs: A density functional study using SCTST and a full anharmonic VPT2 model

Published:2016-02 Issue: Volume:646 Page:168-173
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Shiekh Bilal Ahmad,Kaur Damanjit

Funder

University Grants Commission

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference42 articles.

1. Reaction of thioketones with propiolic acids

2. Direct and metal-free arylsulfonylation of alkynes with sulfonylhydrazides for the construction of 3-sulfonated coumarins

3. Visible-Light-Mediated Radical Aryldifluoroacetylation of Alkynes with Ethyl Bromodifluoroacetate for the Synthesis of 3-Difluoroacetylated Coumarins

4. Coumarins, Biology, Applications and Mode of Action;O’Kennedy,1997

5. Synthesis and Biological Evaluation of 4-Arylcoumarin Analogues of Combretastatins

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