Chemical Applications of Atomic and Molecular Electrostatic Potentials

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Potential energy surfaces and dynamics calculations for chemical reactions and molecular energy transfer

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Rational Drug Design The IMA Volumes in Mathematics and its Applications

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Practical Iterative Methods for Large Scale Computations

By Robert E. Wyatt, Daniel L. Boley, Donald G. Truhlar, Minnesota Supercomputer Institute Workshop On Practical Iterative Methods For Large Scale Computations 1988, Coll, Youcef Saad

Transition state modeling for catalysis

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Rational Drug Design

By Donald G. Truhlar

Drug research and discovery are of critical importance in human health care. Computational approaches for drug lead discovery and optimization have proven successful in many recent research program...

Rational Drug Design

By Donald G. Truhlar

Drug research and discovery are of critical importance in human health care. Computational approaches for drug lead discovery and optimization have proven successful in many recent research program...

Multiparticle Quantum Scattering with Applications to Nuclear Atomic and Molecular Physics

By Barry Simon, Donald G. Truhlar

Chemical Applications of Atomic and Molecular Electrostatic Potentials

By Donald G. Truhlar, Peter Politzer

Monte Carlo Methods in Chemical Physics

By Stuart A. Rice, Donald G. Truhlar, David M. Ferguson, Ilya Prigogine, J. Ilja Siepmann