Last Modified

   1 January 2020

Theoretical Organic Chemistry Nuclear Receptor Chemistry Structural Bioinformatics Rational Drug Design

Homology Modeling for HyperChem Logo Gaussian Interface for HyperChem Logo Full-Auto Interactive, Muti-layer ONIOM Interface Logo Docking Study with HyperChem Logo Mol Dimension Logo Virtual Screening System Technology AutoDock Vina In Silico Screenings Interface The Next-generation Drug Design Technology Drug Design Methodology for Organic Chemists MFDD In Silico Drug Design Research Service Commissioned Research Service HyperChem

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.

Phenyl Cationp-Carboranyl Carbocation

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.

Most Stable Conformation of A Cyclopropane Ring


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


Return to the Small Molecules



Site Map 

Copyright (C) 2003-2020 Institute of Molecular Function. All Rights Reserved.