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The Journal of Physical Chemistry. A|July 27, 2006
Solvent effects on peroxynitrite structure and properties from QM/MM simulationsMariano C Gonzalez Lebrero, Laura L Perissinotti, Darío A EstrinThe Journal of Physical Chemistry. A|July 27, 2006
Theoretical study on the small clusters of LiH, NaH, BeH(2), and MgH(2)Yung-Lung Chen, Chun-Huei Huang, Wei-Ping HuThe Journal of Physical Chemistry. A|July 27, 2006
1,4- vs 1,3-prototropic mechanism for intramolecular double proton transfer reaction in monothiooxalic acid. Theoretical investigation of potential energy surfaceChristophe Raynaud, Jean-Pierre Daudey, Laurent Maron, et al.The Journal of Physical Chemistry. A|July 27, 2006
Testing the three step excited state proton transfer model by the effect of an excess protonRinat Gepshtein, Pavel Leiderman, Liat Genosar, et al.The Journal of Physical Chemistry. A|July 27, 2006
Oxidative addition of the fluoromethane C-F bond to Pd. An ab initio benchmark and DFT validation studyG Theodoor de Jong, F Matthias BickelhauptThe Journal of Physical Chemistry. A|July 28, 2006
Photodissociation of naphthalene dimer radical cation during the two-color two-laser flash photolysis and pulse radiolysis-laser flash photolysisXichen Cai, Sachiko Tojo, Mamoru Fujitsuka, et al.The Journal of Physical Chemistry. A|July 28, 2006
Microwave spectrum of 3-butyne-1-thiol: evidence for intramolecular S-H...pi hydrogen bondingGeorge C Cole, Harald Møllendal, Jean-Claude GuilleminThe Journal of Physical Chemistry. A|July 28, 2006
High pressure pyrolysis of toluene. 2. Modeling benzyl decomposition and formation of soot precursorsR Sivaramakrishnan, Robert S Tranter, K BrezinskyThe Journal of Physical Chemistry. A|July 28, 2006
Time-domain calculations of the polarized Raman spectra, the transient infrared absorption anisotropy, and the extent of delocalization of the OH stretching mode of liquid waterHajime ToriiThe Journal of Physical Chemistry. A|July 28, 2006
Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymineElizabeth Rincón, Pablo Jaque, Alejandro Toro-LabbéPageof 2,780