酒井 章吾

"IMiC MO method for molecular dynamics calculation in solvent cluster." S. Sakai and S. Morita 

International Conference on Molecular Simulation (ICMS) and Computational Science Workshop 2004 (CSW2004)(Tsukuba, Japan) 2004年1月  

"Theoretical Determination of the Electronic Mechanisms of 1, 3-Dipolar Cycloaddition Reactions of Fulminic Acide and Diazomethane." S. Sakai and M. T. Nguyen 

J. Phys. Chem. 108, 9169-9179 2004年  

"Theoretical studies on the substituent effects for concerted and stepwise mechanisms of the Diels-Alder reaction butadiene and ethylene." S. Sakai and T. Okumura 

J. Mol. Struc. (THEOCHEM) 685, 89-95 2004年  

"New Criterion of the Aromaticity. -(4n+2) π rule-" Shogo Sakai 

International Congress of Quantum Chemistry 2003 (Bonn, Germany) 2003年7月  

"The CiLC-IRC analysis for Pericyclic Reaction Mechanisms." Shogo Sakai 

43rd Sanibel Symposium (St. Augustin) 130 2003年2月  

"New Criterion of Aromaticity and Implications for the (4n + 2)л Rule." S.Sakai 

J.Phys.Chem.A 107, 9422-9427 2003年  

"Electronic Structures of Trithiapentalene Analogues." S.Sakai 

Mol.Phys. 101, 1339-1343 2003年  

"Theoretical Analysis of Concerted and Stepwise Mechanisms of the Hetero-Diels-Alder Reaction of Butadience with Formaldehyde and Thioformaldehyde." S.Sakai. 

J.Mol.Struc.(THEOCHEM) 630, 177-185 2003年  

"Altering the Allowed/Forbidden Gap in Cyclobutene Electrocyclic Reactions: Experimental and Theoretical Evaluations of the Effect of Planarity Constraints." P.S.Lee, S.Sakai, P.Horstermann, W.R.Roth, E.A.Kallel, K.N.Houk 

J.Am.Chem.Soc. 125, 5839-5848 2003年  

"Electronic Structures of Trithiapentalene Analogues." S.Sakai 

Mol.Phys. 101, 1339-1343 2003年  

"Altering the Allowed/Forbidden Gap in Cyclobutene Electrocyclic Reactions: Experimental and Theoretical Evaluations of the Effect of Planarity Constraints." P.S.Lee, S.Sakai, P.Horstermann, W.R.Roth, E.A.Kallel, K.N.Houk 

J.Am.Chem.Soc. 125, 5839-5848 2003年  

"Theoretical Study on the Aromaticity." Shogo Sakai 

6th World Congress of Theoretically Oriented Chemists (Lugano, Switzerland) 2002年8月  

“Ziegler-Natta 型反応における配位子の影響について”酒井、平成10年度～平成13年度科学研究費補助金、（特定領域研究A） 

研究成果報告書 455-460 2002年  

"Theoretical Study on the Aromaticity of Benzenes Annelated to Small Rings." S.Sakai 

J.Phys.Chem.A 106, 11526-11532 2002年