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QUANTUM CHEMICAL PREDICTION OF ADME-Tox PROPERTIES
(2006) p.83-83 -
Determination of absolute configuration via vibrational circular dichroism
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VIBRATIONAL CIRCULAR DICHROISM AS A TOOL FOR THE DETERMINATION OF THE STEREOCHEMISTRY AND THE EFFECT OF DFT INTEGRATION GRIDS
(2003) -
ALGEBRAIC INSIGHTS IN NEGATIVE ATOM CONDENSED FUKUI FUNCTIONS
(2003) -
ALGEBRAIC INSIGHTS IN NEGATIVE ATOM CONDENSED FUKUI FUNCTIONS
(2003) -
The electronegativity equalization method for the fast calculation of atomic charges with quantum chemical accuracy