Developments in theoretical chemistry.

[1]  H J Briegel,et al.  Open quantum system approach to the modeling of spin recombination reactions. , 2012, The journal of physical chemistry. A.

[2]  D. J. Diestler,et al.  Quasi-classical theory of electronic flux density in electronically adiabatic molecular processes. , 2012, The journal of physical chemistry. A.

[3]  Lori A Burns,et al.  Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions. , 2011, Journal of chemical theory and computation.

[4]  A. Tkatchenko,et al.  Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. , 2011, Journal of chemical theory and computation.

[5]  Francesco A Evangelista,et al.  Orthogonality constrained density functional theory for electronic excited states. , 2013, The journal of physical chemistry. A.

[6]  Ryan M. Richard,et al.  Time-Dependent Density-Functional Description of the (1)La State in Polycyclic Aromatic Hydrocarbons: Charge-Transfer Character in Disguise? , 2011, Journal of chemical theory and computation.

[7]  Jean-Luc Brédas,et al.  Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ) as a Model Case. , 2011, Journal of chemical theory and computation.

[8]  Leeor Kronik,et al.  Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals. , 2012, Journal of chemical theory and computation.

[9]  Joshua Jortner,et al.  Time-resolved femtosecond photoelectron spectroscopy by field-induced surface hopping. , 2011, The journal of physical chemistry. A.

[10]  S. Grimme,et al.  Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals-Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions. , 2011, Journal of chemical theory and computation.

[11]  M. P. Burke,et al.  Reformulation and solution of the master equation for multiple-well chemical reactions. , 2013, The journal of physical chemistry. A.