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Volumn 16, Issue 12, 1995, Pages 1483-1506

Calculation of molecular geometries, relative conformational energies, dipole moments, and molecular electrostatic potential fitted charges of small organic molecules of biochemical interest by density functional theory

(4) St ‐Amant, Alain a Cornell, Wendy D a Kollman, Peter A a Halgren, Thomas A b

a UNIVERSITY OF CALIFORNIA (United States)

b MERCK RESEARCH LABORATORIES (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84986532404 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.540161206 Document Type: Article

Times cited : (92)

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