S
Shogo Sakai
Researcher at Gifu University
Publications - 81
Citations - 1631
Shogo Sakai is an academic researcher from Gifu University. The author has contributed to research in topics: Ab initio & Molecular orbital. The author has an hindex of 26, co-authored 80 publications receiving 1592 citations. Previous affiliations of Shogo Sakai include Emory University & Osaka Sangyo University.
Papers
More filters
Journal ArticleDOI
Theoretical Analysis of Concerted and Stepwise Mechanisms of Diels−Alder Reaction between Butadiene and Ethylene
TL;DR: In this paper, the concerted and stepwise mechanisms of the Diels−Alder reaction between butadiene and ethylene were studied by ab initio MO methods, and three processes were included: t...
Journal ArticleDOI
Another Look at the Mechanism of the Concerted 1,3-Dipolar Cycloaddition of Fulminic Acid to Acetylene†
TL;DR: The transition structure and energy barrier for the concerted addition of fulminic acid to acetylene, a prototypical 1,3-dipolar cycloaddition, have been determined using various molecular orbital and density functional theory methods with the aim of obtaining accurate energetics and finding an economical but reliable approach for treating larger substituted systems.
Journal ArticleDOI
Factors Influencing the Antioxidant Activities of Phenols by an Ab Initio Study
Journal ArticleDOI
Theoretical model for the reaction mechanisms of singlet carbene analogs into unsaturated hydrocarbon and the origin of the activation barrier
Journal ArticleDOI
Theoretical Studies of the Electrocyclic Reaction Mechanisms of Hexatriene to Cyclohexadiene
Shogo Sakai,Shin-ya Takane +1 more
TL;DR: In this paper, the potential energy surfaces for hexa-1,3,5-triene triene reactions were calculated by ab initio molecular orbital methods and the transition states of two electrocyclic reaction pathways were analyzed.