Donald G. Truhlar

Perspectives On Theoretical Chemistry Five Decades Of Theoretical Chemistry Accounts And Theoretica Chimica Acta

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

Rational drug design

Monte Carlo methods in chemical physics

Supercomputer research in chemistry and chemical engineering

Mathematical frontiers in computational chemical physics

Chemical applications of atomic and molecular electrostatic potentials

Resonances in electron-molecule scattering, van der Waals complexes, and reactive chemical dynamics

Transition state modeling for catalysis

Domain-based parallelism and problem decomposition methods in computational science and engineering

Structure and reactivity in aqueous solution

Multiparticle quantum scattering applications to nuclear, atomic, and molecular physics

1997

[The quantum dyanamics of electronically nonadiabatic chemical reactions

1993

[The quantum dynamics of electronically nonadiabatic chemical reactions

1993

Practical iterative methods for large scale computations