Stewart, James

Stewart, James. Essential Calculus. Belmont, Calif. Thomson Brooks/Cole, 2007. A standard text that relates all of the concepts and methods of calculus, including examples and applications. 

Semiempirical molecular orbital calculations have gone through many stages of refinement and elaboration since Pople s 1965 papers on CNDO. Programs like PM3, which is widely used in contemporary research, are the cumulative achievement of numerous authors including Michael Dewar (1977), Walter Thiel (1998), James Stewart (1990), and their coworkers. 

PM3, developed by James J.P. Stewart, is a reparameterization of AMI, which is based on the neglect of diatomic differential overlap (NDDO) approximation. NDDO retains all one-center differential overlap terms when Coulomb and exchange integrals are computed. PM3 differs from AMI only in the values of the parameters. The parameters for PM3 were derived by comparing a much larger number and wider variety of experimental versus computed molecular properties. Typically, non-bonded interactions are less repulsive in PM3 than in AMI. PM3 is primarily used for organic molecules, but is also parameterized for many main group elements. 

Stewart, Andrew A. Nierenberg, Michael E. Thase, Louise Ritz, Melanie M. Biggs, Diane Warden, James F. Luther, Kathy Shores-Wilson, George Niederehe and Maurizio Fava, Bupropion-Sr, Sertraline, or Venlafaxine-Xr after Failure of SSRIs for Depression , New England Journal of Medicine 354 (2006b) 1231-42... 

We thank Dr Mahesh Sundararajan for helpful discussion regarding the modelling of iron containing proteins and Dr Richard Bryce for discussion regarding the modelling of carbohydrates in solution. We also thank Dr James J. P. Stewart for helpful discussion regarding the gradient-based optimisation of semi-empirical parameters. 

Acknowledgments The discussion of the theoretical basis of semi-empirical methods would not have been possible without the help and advice of several friends and colleagues, including Drs. Yngve Ohm, James Stewart, Michael Zemer, Henry Rzepa, and Marshall Cory, Jr. I am also indebted to the authors of many previous reviews of semi-empirical methods and to Anne-Marie Sapse for her patience. 

This chapter is dedicated to Dr. James T. Stewart on the occasion of his 70th birthday. Formerly a professor at the University of Georgia s College of Pharmacy and my PhD advisor, Dr. Stewart is now retired. My thanks also to Dr. Wu Du of the Merck Research Laboratories and Dr. Mark Arnold of BMS for their reviews and comments. 

James J. P. Stewart, Semiempirical Molecular Orbital Methods. 

Kenneth M. Dieter and James J. P. Stewart Frank J. Seiler Research Laboratory, U.S. Air Force Academy, CO 80840... 

Russell G. Foster, Mark Hankins, Robert J. Lucas, Aaron Jenkins, Marta Munoz, Stewart Thompson, Joanne M. Appleford and James Bellingham... 

MOPAC2009, James, JP. Stewart, Stewart Computational Chemistry, Version 9.045W web HTTP //OpenMOPAC.net. 

As the beam leaves the prism predisperser, it is focused on the entrance slit of the grating monochromator. The slit is curved, has variable width, and opens symmetrically about the chief ray (optical center line of system). The monochromator itself is of the off-axis Littrow variety (James and Sternberg, 1969 Stewart, 1970 Jennings, 1974) and uses a double-pass system described by McCubbin (1961). The double-pass aspect of the system doubles the optical retardation of the incident wave front and theoretically doubles the resolution of the instrument. The principal collimating mirror is a 5-m-focal-length, 102-cm-diam parabola. 

One of the authors on the original AMI paper and a major code developer in that effort, James J. P. Stewart, subsequently left Dewar s labs to work as an independent researcher. Stewart felt that the development of AM 1 had been potentially non-optimal, from a statistical point of view, because (i) the optimization of parameters had been accomplished in a stepwise fashion (thereby potentially accumulating errors), (ii) the search of parameter space had been less exhaustive than might be desired (in part because of limited computational resources at the time), and (iii) human intervention based on the perceived reasonableness of parameters had occurred in many instances. Stewart had a somewhat more mathematical philosophy, and felt that a sophisticated search of parameter space using complex optimization algorithms might be more successful in producing a best possible parameter set within the Dewar-specific NDDO framework. 

Kerenyi Z, Samer H, James R, Yan Y Stewart M. Combination therapy with rosiglitazone and glibenclamide compared with upward titration of glibenclamide alone in patients with type 2 diabetes mellitus. Diabetes Res Clin Pract 2004 63 213-23. 

Stewart MK, Cox MA, James MR, Lyon GL (1983) Deuterium in New Zealand rivers and streams, Wellington, New Zealand. Inst of Nuclear Sciences Report INS-R-320, 32 pp (1983)... 

James T. Stewart, Ph.D. Professor and Head, Department of Medicinal Chemistry, College of Pharmacy, The University of Georgia, Athens, Georgia... 

JAMES T. STEWART The University of Georgia, Athens, Georgia... 

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