Gas-Phase Chemical Dynamics Simulations on the Bifurcating Pathway of the Pimaradienyl Cation Rearrangement: Role of Enzymatic Steering in Abietic Acid Biosynthesis-Reference-Cited by-同舟云学术

Gas-Phase Chemical Dynamics Simulations on the Bifurcating Pathway of the Pimaradienyl Cation Rearrangement: Role of Enzymatic Steering in Abietic Acid Biosynthesis

Published:2012-03-30 Issue:4 Volume:8 Page:1212-1222
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Siebert Matthew R.¹,Manikandan Paranjothy¹,Sun Rui¹,Tantillo Dean J.²,Hase William L.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409, United States

2. Department of Chemistry, University of California—Davis, Davis, California 95616, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300037p

Reference80 articles.

1. The Need for Enzymatic Steering in Abietic Acid Biosynthesis: Gas-Phase Chemical Dynamics Simulations of Carbocation Rearrangements on a Bifurcating Potential Energy Surface

2. Bifurcations on Potential Energy Surfaces of Organic Reactions

3. Classical trajectory simulations of post-transition state dynamics

4. Control Elements in Dynamically Determined Selectivity on a Bifurcating Surface

5. Notable Effect of an Electron-Withdrawing Group at C3 on the Selective Formation of Alkylidenecyclobutanes in the Thermal Denitrogenation of 4-Spirocyclopropane-1-pyrazolines. Nonstatistical Dynamics Effects in the Denitrogenation Reactions

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