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Overview
- experimental study
- steady state
- interaction patterns
- desirable properties
- multiresolution
Publications
Unraveling pnicogen bonding cooperativity: Insights from molecular electrostatic potential analysis.
J. Comput. Chem.
Hydrogen bonds of OCNH motif in rings in drugs: A molecular electrostatic potential analysis.
J. Comput. Chem.
sandwich and multi-decker sandwich complexes: A DFT prediction.
J. Comput. Chem.
Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study.
J. Comput. Chem.
Absorption and emission properties of 5-phenyl tris(8-hydroxyquinolinato) M(III) complexes (M = Al, Ga, In) and correlations with molecular electrostatic potential.
J. Comput. Chem.
A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and Nitrogen.
J. Comput. Chem.