Donald G. Truhlar

Structure and reactivity in aqueous solution

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

Supercomputer research in chemistry and chemical engineering

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

[The quantum dyanamics of electronically nonadiabatic chemical reactions

Practical iterative methods for large scale computations

Mathematical frontiers in computational chemical physics

Rational drug design

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

[The quantum dynamics of electronically nonadiabatic chemical reactions

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

Transition state modeling for catalysis

Chemical applications of atomic and molecular electrostatic potentials

Monte Carlo methods in chemical physics

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