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The Journal of Chemical Physics|June 3, 2019
Solvent effects on acid-base complexes. What is more important: A macroscopic reaction field or solute-solvent interactions?Ilya G Shenderovich, Gleb S Denisov
The Journal of Chemical Physics|June 3, 2019
Ab-initio theory of photoionization via resonancesAdi Pick, Petra Ruth Kaprálová-Žďánská, Nimrod Moiseyev
The Journal of Chemical Physics|June 3, 2019
Automated, context-free assignment of asymmetric rotor microwave spectraLia Yeh, Lincoln Satterthwaite, David Patterson
The Journal of Chemical Physics|June 3, 2019
Singlet fission in spiroconjugated dimersMaría E Sandoval-Salinas, Abel Carreras, Juan Casado, et al.
The Journal of Chemical Physics|June 3, 2019
Investigating the preservation of π-conjugation in covalently functionalized carbon nanotubes through first principles simulationsI S S de Oliveira, R Kagimura, P Venezuela, et al.
The Journal of Chemical Physics|June 3, 2019
Trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theoryNoriyuki Minezawa, Takahito Nakajima
The Journal of Chemical Physics|October 19, 2010
Communication: Second-order multireference perturbation theory with explicit correlation: CASPT2-F12Toru Shiozaki, Hans-Joachim Werner
The Journal of Chemical Physics|October 19, 2010
An efficient method for computing steady state solutions with Gillespie's direct methodS Mauch, M Stalzer
The Journal of Chemical Physics|October 19, 2010
Photoelectron spectroscopic study of the hydrated nucleoside anions: Uridine(-)(H(2)O)(n=0-2), cytidine(-)(H(2)O)(n=0-2), and thymidine(-)(H(2)O)(n=0,1)Xiang Li, Haopeng Wang, Kit H Bowen
The Journal of Chemical Physics|October 19, 2010
Quantum dynamics of dissociative chemisorption of CH(4) on Ni(111): Influence of the bending vibrationG P Krishnamohan, R A Olsen, G-J Kroes, et al.
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