Computer-Aided Mechanism Elucidation of Acetylene Hydrocarboxylation to Acrylic Acid Based on a Novel Union of Empirical and Formal Methods-Reference-Cited by-同舟云学术

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Computer-Aided Mechanism Elucidation of Acetylene Hydrocarboxylation to Acrylic Acid Based on a Novel Union of Empirical and Formal Methods

Published:1997-07-01 Issue:14 Volume:16 Page:3114-3127
ISSN:0276-7333
Container-title:Organometallics
language:en
Short-container-title:Organometallics

Author:

Zeigarnik Andrew V.¹,Valdés-Pérez Raúl E.²,Temkin Oleg N.¹,Bruk Lev G.¹,Shalgunov Sergei I.¹

Affiliation:

1. Laboratory of Chemical Kinetics and Catalysis, Lomonosov Academy of Fine Chemical Technology, Moscow, 117571 Russia

2. Computer Science Department and Center for Light Microscope Imaging and Biotechnology, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/om9700270

Reference53 articles.

1. Computer-aided studies of reaction mechanisms

2. Computer-assisted Synthesis

3. Computer-assisted mechanistic evaluation of organic reactions. 1. Overview

4. CAMEO: a program for the logical prediction of the products of organic reactions

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