Institute of Molecular Function







   Last Modified

   23 February 2018

Theoretical Organic Chemistry Nuclear Receptor Chemistry Structural Bioinformatics Rational Drug Design

Natural Bond Orbital (NBO) Analysis

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 HyperChem


Origin of the facial stereoselectivity, which is the most important and unsolved issue in organic chemistry, has recently been accepted for publication.

Motonori Tsuji. Geometrical Dependence of the Highest Occupied Molecular Orbital in Bicyclic Systems: p Facial Stereoselectivity of Bicyclic and Tricyclic Olefins. Asian J. Org. Chem. 2015, 4, 659-673.


NBOs for Ethane

Gaussian Interface for HyperChem


Return to the Small Molecules



Site Map 

Copyright (C) 2004-2018 Institute of Molecular Function. All Rights Reserved.