Publicaciones en la fuente JOURNAL OF PHYSICAL CHEMISTRY A

Tipo Año Título Fuente
Artículo2018Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics StudyJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2018Evaluation of the Giant Ferromagnetic pi-d Interaction in Iron-Phthalocyanine MoleculeJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2017Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and LinkersJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2015Effect of Capping Ligands and TiO2 Supporting on the Optical Properties of a (CdSe)(13) ClusterJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2014Polyradical character and spin frustration in fullerene molecules: an ab initio non-collinear hartree-fock studyJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2012Electrophilic reactivity of tetrabromorhodamine 123 is bromine induced: Convergent interpretation through complementary molecular descriptorsJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2010Evaluation of Different Dielectric Barrier Discharge Plasma Configurations As an Alternative Technology for Green C-1 Chemistry in the Carbon Dioxide Reforming of Methane and the Direct Decomposition of MethanolJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2010Generalized Kinetic Master Plots for the Thermal Degradation of Polymers Following a Random Scission MechanismJOURNAL OF PHYSICAL CHEMISTRY A
Revisión2010Phenomenological Description of a Three-Center Insertion Reaction: An Information-Theoretic StudyJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2010Photoinduced Electron-Transfer Reactions: A Study of the Diffusion-Controlled and Activation-Diffusion-Controlled ProcessesJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2009Vinyl Acetate Synthesis on Homogeneous and Heterogeneous Pd-Based Catalysts: A Theoretical Analysis on the Reaction MechanismsJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2008IR and Raman Characterization of the Zincocenes (eta(5)-C5Me5)(2)Zn-2 and (eta(5)-C5Me5)(eta(1)-C5Me5)ZnJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2008Low-temperature NMR studies of Zn tautomerism and hindered rotations in solid zincocene derivativesJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2008Two-state model based on electron-transfer reactivity changes to quantify the noncovalent interaction between Co(NH3)(5) Cl2+ and 18-crown-6 ether: The effect of second-sphere coordination on electron-transfer processesJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2007Kinetic approach for the study of noncovalent interaction between [Ru(NH3)(5)pz](2+) and gold nanoparticlesJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2007Removal of NO in NO/N-2, NO/N-2/O-2, NO/CH4/N-2, and NO/CH4/O-2/N-2 systems by flowing microwave dischargesJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2006Combined kinetic analysis of solid-state reactions: A powerful tool for the simultaneous determination of kinetic parameters and the kinetic model without previous assumptions on the reaction mechanismJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2006Salt and solvent effects on the kinetics of the oxidation of the excited state of the [Ru(bPY)(3)](2+) complex by S2O82-JOURNAL OF PHYSICAL CHEMISTRY A
Artículo2005Plasma chemistry of NO in complex gas mixtures excited with a surfatron launcherJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2004New insights on the excited-state proton-transfer reactions of betacarbolines: Cationic exciplex formationJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2003Local orbitals for the truncation of inactive space: Application to magnetic systemsJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2002A computational study of the hydration of the OH radicalJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2002Metal-ligand delocalization in magnetic orbitals of binuclear complexesJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2001Application of the unequal distances of closest approach theory to the analysis of double-layer effects on Zn(II) reduction at a mercury electrodeJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2001Kinetics study of hydrogen bonded exciplex formation of n(9)-methyl harmaneJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2001Solvent effects on nuclear shieldings: Continuum or discrete solvation models to treat hydrogen bond and polarity effects?JOURNAL OF PHYSICAL CHEMISTRY A
Artículo2000Excitation energy dedicated molecular orbitals. Method and applications to magnetic systemsJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2000Theoretical study of the microsolvation of the bromide anion in water, methanol, and acetonitrile: Ion-solvent vs solvent-solvent interactionsJOURNAL OF PHYSICAL CHEMISTRY A
Artículo2000X-ray absorption spectroscopy (XAS) study of the hydration structure of yttrium(III) cations in liquid and glassy states: Eight or nine-fold coordination?JOURNAL OF PHYSICAL CHEMISTRY A
Artículo1998Molecular structure determination by EXAFS of [Y(NCS)(6)](3-) units in solid state and in solution. A comparison with density functional theory calculationsJOURNAL OF PHYSICAL CHEMISTRY A
Artículo1998Physical factors governing the amplitude of the electron transfer integral in mixed-valence compoundsJOURNAL OF PHYSICAL CHEMISTRY A
Artículo1998Salt effects on the kinetics of the proton-transfer reactions in the 3,5-dinitrohydroxybenzoic acid ammonia systemJOURNAL OF PHYSICAL CHEMISTRY A
Artículo1997Dedicated molecular orbitals for the variational determination of the electron-transfer matrix element. Method and application to a Cu(I)-Cu(II) mixed valence compoundJOURNAL OF PHYSICAL CHEMISTRY A
Artículo1997Study of the Ag+ hydration by means of a semicontinuum quantum-chemical solvation modelJOURNAL OF PHYSICAL CHEMISTRY A