On the occasion of the 50th anniversary of the journal Theoretical Chemistry Accounts, leading researchers in theoretical chemistry present current and forward-looking perspectives on major developments in the field. Originally published in the journal, these outstanding contributions are now available in a hardcover print format. This collection will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal.

With contributions from Christopher J. Cramer, Gino A. DiLabio, Filipp Furche, Sophya Garashchuk, Peter M.W. Gill, Hua Guo, So Hirata, Brian K. Kendrick, Hans Lischka, Wenjian Liu, Fernando R. Ornellas, Irina Paci, Kirk A. Peterson, Markus Reiher, Jeffrey R. Reimers, Manuel Smeu, Seiichiro Ten-no, Diego Troya, Donald G. Truhlar, Christoph van Wüllen, Dong H. Zhang

Editorial - Fifty years of TCA

Computational modeling of extended systems
Nanoparticle morphology and aspect ratio effects in Ag/PVDF nanocomposites
Toward ab initio refinement of protein X-ray crystal structures: interpreting and correlating structural fluctuations
Conduction modulation of pi-stacked ethylbenzene wires on Si(100) with substituent groups
Theoretical characterization of reaction dynamics in the gas phase and at interfaces
Calculation of the zero-point energy from imaginary-time quantum trajectory dynamics in Cartesian coordinates
Time-dependent wave packet propagation using quantum hydrodynamics
Dynamics of collisions of hydroxyl radicals with fluorinated self-assembled monolayers
A full-dimensional time-dependent wave packet study of the OH+CO - H+CO2 reaction
Electronic structure theory: present and future challenges
Electron correlation methods based on the random phase approximation
Uniform electron gases
Explicitly correlated wave functions: summary and perspective
Theoretical chemistry: current applications to photochemistry and thermochemistry
Electronically excited states and photodynamics: a continuing challenge
Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges
Negative energy states in relativistic quantum chemistry
Fully relativistic theories and methods for NMR parameters
Exact decoupling of the relativistic Fock operator.