Chemical Physics and Quantum Chemistry

Chemical Physics and Quantum Chemistry


Elsevier Science Publishing Co Inc






15 a 20 dias

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Janos Ladik some reminiscences Maximilian Seel The tragicomedy of modern theoretical biology Maximilian Seel and Janos Ladik Molecular attochemistry: Correlated electron dynamics driven by light Peter Saalfrank, Florian Bedurke, Chiara Heide, Tillmann Klamroth, Stefan Klinkusch, Pascal Krause, Mathias Nest and Jean Christophe Tremblay Fundamental and approximate symmetries, parity violation and tunneling in chiral and achiral molecules Martin Quack, Georg Seyfang and Gunther Wichmann On the development and implementation of multi-CPU parallel versions of accurate, general purpose, methods of multireference perturbation theories Run R. Li and Mark R. Hoffmann Treating the motion of nuclei and electrons in atomic and molecular quantum mechanical calculations on an equal footing: Non-Born-Oppenheimer quantum chemistry Saeed Nasiri, Sergiy Bubin and Ludwik Adamowicz The bound state stability of the hydride ion in HF theory Hazel Cox, Adam L. Baskerville, Ville J.J. Syrjanen and Michael Melgaard Theoretical study of bisphenol A photolysis Elena N. Bocharnikova, Olga N. Tchaikovskaya, Olga K. Bazyl, Viktor Ya. Artyukhov and George V. Mayer The anisotropy and temperature dependence in the mobility of rubrene Yu-Jie Zhong, Chang-Feng Lan, Bo-Chao Lin, Chong-Der Hu, Yuan-Chung Cheng and Chao-Ping Hsu Competing excited-state deactivation processes in bacteriophytochromes Bo Durbeej The influence of monovalent and divalent metal cations on the stability of the DNA-protein interaction in the nucleosome core particle Alex-Adrian Farcas and Attila Bende Quantum chemistry assisted by machine learning Pavlo O. Dral
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