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6643 results: 6603 articles and 40 books or book chapters
Last updated: May 14, 2025-
5021 Understanding Conjugation and Hyperconjugation from Electronic Delocalization Measures
F. Feixas, E. Matito, J. Poater, and M. Sola
J. Phys. Chem. A 115, 13104 (2011). -
5022 Solidification of Small p-H-2 Clusters at Zero Temperature
E. Sola, and J. Boronat
J. Phys. Chem. A 115, 7071 (2011). -
5023 Red- and Blue-Shifted Hydrogen Bonds: the Bent Rule from Quantum Theory of Atoms in Molecules Perspective
S. J. Grabowski
J. Phys. Chem. A 115, 12789 (2011). -
5024 Pro-oxidant Activity of Aluminum: Stabilization of the Aluminum Superoxide Radical Ion
J. I. Mujika, F. Ruiperez, I. Infante, J. M. Ugalde, C. Exley, and X. Lopez
J. Phys. Chem. A 115, 6717 (2011). -
5025 Second-Order Moller-Plesset Calculations of Total Ground-State Energies of Tetrahedral and Octahedral Molecules at Equilibrium, Confronted with Some Model-Dependent Scaling Properties
A. Krishtal, C. Van Alsenoy, and N. H. March
J. Phys. Chem. A 115, 12998 (2011). -
5026 Characteristics of X-H center dot center dot center dot pi Interactions: Ab Initio and QTAIM Studies
S. J. Grabowski, and P. Lipkowski
J. Phys. Chem. A 115, 4765 (2011). -
5027 Intramolecular Hydrogen Bonds: the QTAIM and ELF Characteristics
F. Fuster, and S. J. Grabowski
J. Phys. Chem. A 115, 10078 (2011). -
5028 Halogen Bond and Its Counterparts: Bent's Rule Explains the Formation of Nonbonding Interactions
S. J. Grabowski
J. Phys. Chem. A 115, 12340 (2011). -
5029 Phonon-Induced Surface Charge Density Oscillations in Quantum Wells: A First-Principles Study of the (2 x 2)-K Overlayer on Be(0001)
V. Chis, and G. Benedek
J. Phys. Chem. A 115, 7242 (2011). -
5030 Dynamics of Water in Supercooled Aqueous Solutions of Poly(propylene glycol) As Studied by Broadband Dielectric Spectroscopy and Low-Temperature FTIR-ATR Spectroscopy
L. P. Singh, S. Cerveny, A. Alegria, and J. Colmenero
J. Phys. Chem. B 115, 13817 (2011). -
5031 Thermal Stability of Endohedral First-Row Transition-Metal TM@ZniSi Structures, i=12, 16
E. Jimenez-Izal, J. M. Matxain, M. Piris, and J. M. Ugalde
J. Phys. Chem. C 115, 7829 (2011). -
5032 Wetting Property of the Edges of Monoatomic Step on Graphite: Frictional-Force Microscopy and ab Initio Quantum Chemical Studies
S. Panigrahi, A. Bhattacharya, D. Bandyopadhyay, S. J. Grabowski, D. Bhattacharyya, and S. Banerjee
J. Phys. Chem. C 115, 14819 (2011). -
5033 Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces
D. J. Mowbray, J. I. Martinez, F. Calle-Vallejo, J. Rossmeisl, K. S. Thygesen, K. W. Jacobsen, and J. K. Norskov
J. Phys. Chem. C 115, 2244 (2011). -
5034 Attachment of Protoporphyrin Dyes to Nanostructured ZnO Surfaces: Characterization by Near Edge X-ray Absorption Fine Structure Spectroscopy
R. Gonzalez-Moreno, P. L. Cook, I. Zegkinoglou, X. Liu, P. S. Johnson, W. Yang, R. E. Ruther, R. J. Hamers, R. Tena-Zaera, F. J. Himpsel, J. Enrique Ortega, and C. Rogero
J. Phys. Chem. C 115, 18195 (2011). -
5035 Following the Metalation Process of Protoporphyrin IX with Metal Substrate Atoms at Room Temperature
R. Gonzalez-Moreno, C. Sanchez-Sanchez, M. Trelka, R. Otero, A. Cossaro, A. Verdini, L. Floreano, M. Ruiz-Bermejo, A. Garcia-Lekue, J. A. Martin-Gago, and C. Rogero
J. Phys. Chem. C 115, 6849 (2011). -
5036 Modeling ZnS and ZnO Nanostructures: Structural, Electronic, and Optical Properties
J. M. Azpiroz, E. Mosconi, and F. De Angelis
J. Phys. Chem. C 115, 25219 (2011). -
5037 Role of Deprotonation and Cu Adatom Migration in Determining the Reaction Pathways of Oxalic Acid Adsorption on Cu(111)
M. N. Faraggi, C. Rogero, A. Arnau, M. Trelka, D. Ecija, C. Isvoranu, J. Schnadt, C. Marti-Gastaldo, E. Coronado, J. M. Gallego, R. Otero, and R. Miranda
J. Phys. Chem. C 115, 21177 (2011). -
5038 Plasmon-Enhanced Fluorescence and Spectral Modification in SHINEF
R. F. Aroca, G. Y. Teo, H. Mohan, A. R. Guerrero, P. Albella, and F. Moreno
J. Phys. Chem. C 115, 20419 (2011). -
5039 On the range of validity of a semiclassical relation between the critical exponents at the Anderson localization transition
Z. D. Zhang, and N. H. March
J. Phys. Chem. Solids 72, 1529 (2011). -
5040 Unified description of charge transfer mechanisms and vibronic dynamics in nanoscale junctions
R. Avriller
J. Phys.-Condes. Matter 23, 105301 (2011).