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Journal of Computational Chemistry|October 30, 2007
Improved efficiency of focal point conformational analysis with truncated correlation consistent basis setsKalju Kahn, Iiris KahnJournal of Computational Chemistry|July 13, 2002
Parameterization of OPLS-AA force field for the conformational analysis of macrocyclic polyketidesKalju Kahn, Thomas C BruiceChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 1, 2005
Focal-point conformational analysis of ethanol, propanol, and isopropanolKalju Kahn, Thomas C BruiceJournal of the American Chemical Society|June 19, 2003
Computational study of ketosteroid isomerase: insights from molecular dynamics simulation of enzyme bound substrate and intermediateDevleena Mazumder, Kalju Kahn, Thomas C BruiceProceedings of the National Academy of Sciences of the United States of America|March 1, 2003
Comparison of formation of reactive conformers for the SN2 displacements by CH3CO2- in water and by Asp124-CO2- in a haloalkane dehalogenaseSun Hur, Kalju Kahn, Thomas C BruiceJournal of Computational Chemistry|December 23, 2006
Convergence of third order correlation energy in atoms and moleculesKalju Kahn, Alex A Granovsky, Jozef NogaJournal of the American Chemical Society|July 26, 2002
Computer simulations of trypanosomal nucleoside hydrolase: determination of the protonation state of the bound transition-state analogueDevleena Mazumder, Kalju Kahn, Thomas C BruiceJournal of Chemical Information and Modeling|November 8, 2007
Modeling the toxicity of chemicals to Tetrahymena pyriformis using heuristic multilinear regression and heuristic back-propagation neural networksIiris Kahn, Sulev Sild, Uko MaranInorganic Chemistry|January 30, 2026
A DFT Re-Examination of the Acid Catalyzed Aquation of Hexaammineruthenium(II), Ru(NH<sub>3</sub>)<sub>6</sub><sup>2</sup>Leroy E Laverman, Kalju Kahn, Peter C FordThe Journal of Chemical Physics|October 14, 2011
Communication: convergence of anharmonic infrared intensities of hydrogen fluoride in traditional and explicitly correlated coupled cluster calculationsKalju Kahn, Bernard Kirtman, Alexander Hagen, et al.Pageof 2