Last Modified
1 January 2024
Electronic Structure Methods - Molecular Orbital Theory -
Three-dimensional Benzene - Carborane - Electronic Structure Analysis
Experimental and theoretical studies on generation of novel three-dimensional phenyl cation, i.e., Carboranyl carbocation.
Motonori Tsuji., J. Org. Chem. 2003, 68, 9589 - 9597.
LUMO21 LUMO37
Phenyl Cation p-Carboranyl Carbocation
Electronic Structure of Cyclopropane
Experimental and theoretical studies on discovery of the most stable conformation of a cyclopropane ring.
Motonori Tsuji, J. Org. Chem.2004, 69, 4063 - 4074.
Unified Theory for Classical Steric Effects and Orbital Interactions
Experimental and theoretical studies on discovery of a principle for the facial stereoselectivity.
Motonori Tsuji, Asian J. Org. Chem.2015,4, 659-673.
Natural Bond Orbital (NBO) Analysis
Gaussian Interface for HyperChem