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The Journal of Physical Chemistry. A|January 20, 2006
Electron localization function in full-potential representation for crystalline materialsA Ormeci, H Rosner, F R Wagner, et al.The Journal of Physical Chemistry. A|January 20, 2006
Charge-transfer pipi* excited state in the 7-azaindole dimer. A hybrid configuration interactions singles/time-dependent density functional theory descriptionRicard Gelabert, Miquel Moreno, José M LluchThe Journal of Physical Chemistry. A|January 20, 2006
Electronic properties of anthracene derivatives for blue light emitting electroluminescent layers in organic light emitting diodes: a density functional theory studyP Raghunath, M Ananth Reddy, C Gouri, et al.The Journal of Physical Chemistry. A|January 20, 2006
Radical cations from dicyclopropylidenemethane and its octamethyl derivativeThomas Bally, Beat Müller, Fabian Gerson, et al.The Journal of Physical Chemistry. A|January 20, 2006
Electronic structure and redox properties of the open-shell metal-carbide endofullerene Sc3C2@C80: a density functional theory investigationKai Tan, Xin LuThe Journal of Physical Chemistry. A|January 20, 2006
Inelastic neutron scattering study of water in hydrated LTA-type zeolitesCarmelo Corsaro, Vincenza Crupi, Domenico Majolino, et al.The Journal of Physical Chemistry. A|March 11, 2006
Acid-base equilibria in 5,10,15,20-tetrakis(4-sulfonatophenyl)chlorin: Role of conformational flexibilityMikalai M Kruk, Silvia E BraslavskyThe Journal of Physical Chemistry. A|March 11, 2006
Dynamics of 4-benzylamino-7-nitrobenzofurazan in the 1-propanol/water binary solvent system. Evidence for composition-dependent solvent organizationSarah A Stevenson, G J BlanchardThe Journal of Physical Chemistry. A|March 11, 2006
UV photodissociation spectroscopy of oxidized undecylenic acid filmsAnthony L Gomez, Jiho Park, Maggie L Walser, et al.The Journal of Physical Chemistry. A|March 11, 2006
Favorable pendant-amino metal chelation in VX nerve agent model systemsIndrajit Bandyopadhyay, Min Jeong Kim, Yoon Sup Lee, et al.Pageof 2,780