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6690 results: 6649 articles and 40 books or book chapters
Last updated: May 14, 2025-
4301 Photoinduced C-C Reactions on Insulators toward Photolithography of Graphene Nanoarchitectures
C. -A. Palma, K. Diller, R. Berger, A. Welle, J. Bjork, J. L. Cabellos, D. J. Mowbray, A. C. Papageorgiou, N. P. Ivleva, S. Matich, E. Margapoti, R. Niessner, B. Menges, J. Reichert, X. Feng, H. J. Raeder, F. Klappenberger, A. Rubio, K. Muellen, and J. V. Barth, et al.
J. Am. Chem. Soc. 136, 4651 (2014). -
4302 Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations
R. Sarmiento-Perez, S. Botti, C. S. Schnohr, I. Lauermann, A. Rubio, and B. Johnson
J. Appl. Phys. 116, 093703 (2014). -
4303 Dielectric spectroscopy at the nanoscale by atomic force microscopy: A simple model linking materials properties and experimental response
L. A. Miccio, M. M. Kummali, G. A. Schwartz, A. Alegria, and J. Colmenero
J. Appl. Phys. 115, 184305 (2014). -
4304 The interaction of organic adsorbate vibrations with substrate lattice waves in methyl-Si(111)-(1 x 1)
R. D. Brown, Z. M. Hund, D. Campi, L. E. O'Leary, N. S. Lewis, M. Bernasconi, G. Benedek, and S. J. Sibener
J. Chem. Phys. 141, 024702 (2014). -
4305 Vibrational lifetimes of hydrogen on lead films: An ab initio molecular dynamics with electronic friction (AIMDEF) study
P. Saalfrank, J. I. Juaristi, M. Alducin, M. Blanco-Rey, and R. D. Muino
J. Chem. Phys. 141, 234702 (2014). -
4306 Two new constraints for the cumulant matrix
E. Ramos-Cordoba, P. Salvador, M. Piris, and E. Matito
J. Chem. Phys. 141, 234101 (2014). -
4307 Second-order perturbative corrections to the restricted active space configuration interaction with the hole and particle approach
D. Casanova
J. Chem. Phys. 140, 144111 (2014). -
4308 Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)
G. -J. Kroes, M. Pavanello, M. Blanco-Rey, M. Alducin, and D. J. Auerbach
J. Chem. Phys. 141, 054705 (2014). -
4309 Quasi-particle energy spectra in local reduced density matrix functional theory
N. N. Lathiotakis, N. Helbig, A. Rubio, and N. I. Gidopoulos
J. Chem. Phys. 141, 164120 (2014). -
4310 Interacting pairs in natural orbital functional theory
M. Piris
J. Chem. Phys. 141, 044107 (2014). -
4311 Dielectric spectra broadening as a signature for dipole-matrix interaction. IV. Water in amino acids solutions
E. Levy, S. Cerveny, I. Ermolina, A. Puzenko, and Y. Feldman
J. Chem. Phys. 140, 135104 (2014). -
4312 Benchmark Assessment of Density Functional Methods on Group II-VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots
J. M. Azpiroz, J. M. Ugalde, and I. Infante
J. Chem. Theory Comput. 10, 76 (2014). -
4313 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
D. Casanova
J. Chem. Theory Comput. 10, 324 (2014). -
4314 New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter Indices
F. Feixas, M. Sola, J. M. Barroso, J. M. Ugalde, and E. Matito
J. Chem. Theory Comput. 10, 3055 (2014). -
4315 Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems
J. Flick, H. Appel, and A. Rubio
J. Chem. Theory Comput. 10, 1665 (2014). -
4316 Quasiparticle Level Alignment for Photocatalytic Interfaces
A. Migani, D. J. Mowbray, J. Zhao, H. Petek, and A. Rubio
J. Chem. Theory Comput. 10, 2103 (2014). -
4317 A Survey of the Parallel Performance and Accuracy of Poisson Solvers for Electronic Structure Calculations
P. Garcia-Risueno, J. Alberdi-Rodriguez, M. J. T. Oliveira, X. Andrade, M. Pippig, J. Muguerza, A. Arruabarrena, and A. Rubio
J. Comput. Chem. 35, 427 (2014). -
4318 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
D. Casanova
J. Comput. Chem. 35, 944 (2014). -
4319 Formation of metal-organic interface states studied with 2PPE
M. Marks, A. Schoell, and U. Hoefer
J. Electron Spectrosc. Relat. Phenom. 195, 263 (2014). -
4320 Electron dynamics of unoccupied states in topological insulators
D. Niesner, S. Otto, T. Fauster, E. V. Chulkov, S. V. Eremeev, O. E. Tereshchenko, and K. A. Kokh
J. Electron Spectrosc. Relat. Phenom. 195, 258 (2014).