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7309 results: 7249 articles and 60 books or book chapters
Last updated: 2026/08/12-
4701
Performance of PNOF6 for Hydrogen Abstraction Reactions
X. Lopez, M. Piris, F. Ruiperez, and J. M. Ugalde
J. Phys. Chem. A 119, 6981 (2015). -
4702
Effect of a Single Water Molecule on the Electronic Absorption by o- and
p-Nitrophenolate: A Shift to the Red or to the Blue?
J. Houmoller, M. Wanko, A. Rubio, and S. B. Nielsen
J. Phys. Chem. A 119, 11498 (2015). -
4703
Low-Lying Isomers of Free-Space Halogen Clusters with Tetrahedral and
Octahedral Symmetry in Relation to Stable Molecules Such as SF6
M. Piris, and N. H. March
J. Phys. Chem. A 119, 10190 (2015). -
4704
Resonant-Convergent PCM Response Theory for the Calculation of Second
Harmonic Generation in Makaluvamines A-V: Pyrroloiminoquinone Marine
Natural Products from Poriferans of Genus Zyzzya
B. F. Milne, and P. Norman
J. Phys. Chem. A 119, 5368 (2015). -
4705
center dot OH Oxidation Toward S- and OH-Containing Amino Acids
J. Uranga, J. I. Mujika, and J. M. Matxain
J. Phys. Chem. B 119, 15430 (2015). -
4706
Importance of Plasmonic Scattering for an Optimal Enhancement of
Vibrational Absorption in SEIRA with Linear Metallic Antennas
T. Neuman, C. Huck, J. Vogt, F. Neubrech, R. Hillenbrand, J. Aizpurua, and A. Pucci
J. Phys. Chem. C 119, 26652 (2015). -
4707
Signatures of Vibrational Strong Coupling in Raman Scattering
J. del Pino, J. Feist, and F. J. Garcia-Vidal
J. Phys. Chem. C 119, 29132 (2015). -
4708
Modeling Ferro- and Antiferromagnetic Interactions in Metal-Organic
Coordination Networks
M. N. Faraggi, V. N. Golovach, S. Stepanow, T. -C. Tseng, N. Abdurakhmanova, C. S. Kley, A. Langner, V. Sessi, K. Kern, and A. Arnau
J. Phys. Chem. C 119, 547 (2015). -
4709
Atomic Surface Structure of CH3-Ge(111) Characterized by Helium Atom
Diffraction and Density Functional Theory
Z. M. Hund, K. J. Nihill, D. Campi, K. T. Wong, N. S. Lewis, M. Bernasconi, G. Benedek, and S. J. Sibener
J. Phys. Chem. C 119, 18458 (2015). -
4710
Energy Dissipation to Tungsten Surfaces upon Eley-Rideal Recombination
of N-2 and H-2
O. Galparsoro, R. Petuya, J. I. Juaristi, C. Crespos, M. Alducin, and P. Larregaray
J. Phys. Chem. C 119, 15434 (2015). -
4711
Isotope Effects in Eley-Rideal and Hot-Atom Abstraction Dynamics of
Hydrogen from Tungsten (100) and (110) Surfaces
R. Petuya, M. A. Nosir, C. Crespos, R. Diez Muino, and P. Larregaray
J. Phys. Chem. C 119, 15325 (2015). -
4712
First-Principles Modeling of Core/Shell Quantum Dot Sensitized Solar
Cells
J. M. Azpiroz, I. Infante, and F. De Angelis
J. Phys. Chem. C 119, 12739 (2015). -
4713
Using G(0)W(0) Level Alignment to Identify Catechol's Structure on
TiO2(110)
D. J. Mowbray, and A. Migani
J. Phys. Chem. C 119, 19634 (2015). -
4714
Mechanical Tuning of Thermal Transport in a Molecular Junction
Q. Li, I. Duchemin, S. Xiong, G. C. Solomon, and D. Donadio
J. Phys. Chem. C 119, 24636 (2015). -
4715
FeCoCp3 Molecular Magnets as Spin Filters
P. N. Abufager, R. Robles, and N. Lorente
J. Phys. Chem. C 119, 12119 (2015). -
4716
Surface Dynamics of Xe(111): An Ambiguous Nobility
D. Campi, M. Bernasconi, G. Benedek, and J. P. Toennies
J. Phys. Chem. C 119, 14579 (2015). -
4717
Optical Resonances of Colloidal Gold Nanorods: From Seeds to Chemically
Thiolated Long Nanorods
F. J. Recio, N. Zabala, A. Rivacoba, P. Crespo, A. Ayuela, P. M. Echenique, and A. Hernando
J. Phys. Chem. C 119, 7856 (2015). -
4718
Substrate-Induced Stabilization and Reconstruction of Zigzag Edges in
Graphene Nanoislands on Ni(111)
A. Garcia-Lekue, M. Olle, D. Sanchez-Portal, J. J. Palacios, A. Mugarza, G. Ceballos, and P. Gambardella
J. Phys. Chem. C 119, 4072 (2015). -
4719
Photoinduced Energy Shift in Quantum-Dot-Sensitized TiO2: A
First-Principles Analysis
J. M. Azpiroz, E. Ronca, and F. De Angelis
J. Phys. Chem. Lett. 6, 1423 (2015). -
4720
Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for
the Model Porphine
G. Abareda, J. Maria Bofill, I. Tavernelli, F. Huarte-Larranaga, F. Illas, and A. Rubio
J. Phys. Chem. Lett. 6, 1529 (2015).