Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory - researchr publication

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Alain St.-Amant, Wendy D. Cornell, Peter A. Kollman, Thomas A. Halgren. Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory. Journal of Computational Chemistry, 16(12):1483-1506, 1995.

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