Extracting maximum information from polarized surface vibrational spectra: Application to etched, H-terminated Si(110) surfaces (English)
- New search for: Clark, Ian T.
- New search for: Clark, Ian T.
- New search for: Aldinger, Brandon S.
- New search for: Gupta, Ankush
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In:
The journal of chemical physics
;
128
, 14
; 144711-144900
;
2008
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ISSN:
- Article (Journal) / Print
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Title:Extracting maximum information from polarized surface vibrational spectra: Application to etched, H-terminated Si(110) surfaces
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Contributors:
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Published in:The journal of chemical physics ; 128, 14 ; 144711-144900
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Publisher:
- New search for: AIP
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Place of publication:Melville, NY
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Publication date:2008
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
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Keywords:
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Classification:
BKL: 35.10 Physikalische Chemie: Allgemeines -
Source:
Table of contents – Volume 128, Issue 14
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 144101
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A sparse matrix based full-configuration interaction algorithmRolik, Zolta´n / Szabados, A´gnes / Surja´n, Pe´ter R. et al. | 2008
- 144102
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Single switch surface hopping for molecular dynamics with transitionsFermanian Kammerer, Clotilde / Lasser, Caroline et al. | 2008
- 144103
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The electron affinity of gallium nitride (GaN) and digallium nitride (GaNGa): The importance of the basis set superposition error in strongly bound systemsTzeli, Demeter / Tsekouras, Athanassios A. et al. | 2008
- 144104
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Improved transition path sampling methods for simulation of rare eventsChopra, Manan / Malshe, Rohit / Reddy, Allam S. / de Pablo, J. J. et al. | 2008
- 144105
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Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism: Calculation of termsSeth, Michael / Krykunov, Mykhaylo / Ziegler, Tom / Autschbach, Jochen / Banerjee, Arup et al. | 2008
- 144106
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Correlation regions within a localized molecular orbital approachMata, Ricardo A. / Werner, Hans-Joachim / Schu¨tz, Martin et al. | 2008
- 144107
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Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theoryKorona, Tatiana / Jeziorski, Bogumil et al. | 2008
- 144108
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Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problemAsturiol, David / Duran, Miquel / Salvador, Pedro et al. | 2008
- 144109
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Multiconfiguration optimized effective potential method for a density-functional treatment of static correlationWeimer, Martin / Della Sala, Fabio / Go¨rling, Andreas et al. | 2008
- 144110
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Origin and control of superlinear polarizability scaling in chemical potential equalization methodsLee Warren, G. / Davis, Joseph E. / Patel, Sandeep et al. | 2008
- 144111
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Finding important anharmonic terms in the sixth-order potential energy function by the scaled hypersphere search method: An application to vibrational analyses of molecules and clustersMaeda, Satoshi / Watanabe, Yu / Ohno, Koichi et al. | 2008
- 144112
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Improved supermolecular second order Mo&slash;ller–Plesset intermolecular interaction energies using time-dependent density functional response theoryHeßelmann, Andreas et al. | 2008
- 144113
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Semiempirical evaluation of post-Hartree–Fock diagonal-Born–Oppenheimer corrections for organic moleculesMohallem, Jose´ R. et al. | 2008
- 144114
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Quantum theory of (femtosecond) time-resolved stimulated Raman scatteringSun, Zhigang / Lu, J. / Zhang, Dong H. / Lee, Soo-Y. et al. | 2008
- 144115
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Obtaining the two-body density matrix in the density matrix renormalization group methodZgid, Dominika / Nooijen, Marcel et al. | 2008
- 144116
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The density matrix renormalization group self-consistent field method: Orbital optimization with the density matrix renormalization group method in the active spaceZgid, Dominika / Nooijen, Marcel et al. | 2008
- 144117
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Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-caroteneGhosh, Debashree / Hachmann, Johannes / Yanai, Takeshi / Chan, Garnet Kin-Lic et al. | 2008
- 144118
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Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationshipLi, Xiangzhu / Paldus, Josef et al. | 2008
- 144119
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Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performanceLi, Xiangzhu / Paldus, Josef et al. | 2008
- 144120
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Adaptive biasing force method for scalar and vector free energy calculationsDarve, Eric / Rodri´guez-Go´mez, David / Pohorille, Andrew et al. | 2008
- 144121
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Hamiltonian replica exchange molecular dynamics using soft-core interactionsHritz, Jozef / Oostenbrink, Chris et al. | 2008
- 144122
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Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc–ZnMayhall, Nicholas J. / Raghavachari, Krishnan / Redfern, Paul C. / Curtiss, Larry A. / Rassolov, Vitaly et al. | 2008
- 144301
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Computed lifetimes of metastable states of the NO2+ dicationBakova´, R. / Fisˇer, J. / Sˇedivcova´-Uhli´kova´, T. / Sˇpirko, V. et al. | 2008
- 144302
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Quantum dynamics study of the K+HF(v=0–2,j=0)→KF+H reaction and comparison with quasiclassical trajectory resultsMayneris, Jordi / Marti´nez, Rodrigo / Hernando, Jordi / Gray, Stephen K. / Gonza´lez, Miguel et al. | 2008
- 144303
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Excitation levels and magic numbers of small parahydrogen clusters (N40)Guardiola, Rafael / Navarro, Jesu´s et al. | 2008
- 144304
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Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Mo&slash;ller–Plesset perturbation theoryChaudhuri, Rajat K. / Freed, Karl F. / Chattopadhyay, Sudip / Sinha Mahapatra, Uttam et al. | 2008
- 144305
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Theoretical studies on the bonding and thermodynamic properties of GenSim (m+n=5) clusters: The precursors of germanium/silicon nanomaterialsWielgus, Pawel / Roszak, Szczepan / Majumdar, D. / Saloni, Julia / Leszczynski, Jerzy et al. | 2008
- 144306
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Observation of the 5p Rydberg states of sulfur difluoride radical by resonance-enhanced multiphoton ionization spectroscopyZhang, Qun / Zhou, Xiaoguo / Li, Quanxin / Yu, Shuqin / Ma, Xingxiao et al. | 2008
- 144307
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Structures of MAu16− (M=Ag, Li, Na, and K): How far is the endohedral doping?Fa, Wei / Dong, Jinming et al. | 2008
- 144307
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Structures of MAu16sup ARRANGE="STAGGER">- (M=Ag, Li, Na, and K): How far is the endohedral doping?Fa, Wei et al. | 2008
- 144308
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emph TYPE="1">Ab initio investigation of the electronic structure and bonding of BH, BH-, and HBBH moleculesMiliordos, Evangelos et al. | 2008
- 144308
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Ab initio investigation of the electronic structure and bonding of BH, BH−, and HBBH moleculesMiliordos, Evangelos / Mavridis, Aristides et al. | 2008
- 144309
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An ab initio study based on a finite nucleus model for isotope fractionation in the U(III)–U(IV) exchange reaction systemAbe, Minori / Suzuki, Tatsuya / Fujii, Yasuhiko / Hada, Masahiko et al. | 2008
- 144309
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An emph TYPE="1">ab initio study based on a finite nucleus model for isotope fractionation in the U(III)-U(IV) exchange reaction systemAbe, Minori et al. | 2008
- 144310
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The role of the excited electronic states in the C++H2O reactionFlores, Jesu´s R. / Gonza´lez, Ada´n B. et al. | 2008
- 144311
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Recoil excitation of vibrational structure in the carbon 1s photoelectron spectrum of CF4Thomas, T. Darrah / Kukk, Edwin / Sankari, Rami / Fukuzawa, Hironobu / Pru¨mper, Georg / Ueda, Kiyoshi / Pu¨ttner, Ralph / Harries, James / Tamenori, Yusuke / Tanaka, Takahiro et al. | 2008
- 144312
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The permanent electric dipole moment of calcium monodeuterideChen, Jinhai / Steimle, Timothy C. et al. | 2008
- 144313
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The photodissociation of the water dimer in the A˜ band: A twelve-dimensional quasiclassical studyAvila, G. / Kroes, G. J. / van Hemert, M. C. et al. | 2008
- 144314
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Prediction of metastable metal-rare gas fluorides: FMRgF (M=Be and Mg; Rg=Ar, Kr and Xe)Jayasekharan, T. / Ghanty, T. K. et al. | 2008
- 144501
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A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulationsBrancato, Giuseppe / Rega, Nadia / Barone, Vincenzo et al. | 2008
- 144502
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Proton transfer in a polar solvent from ring polymer reaction rate theoryCollepardo-Guevara, Rosana / Craig, Ian R. / Manolopoulos, David E. et al. | 2008
- 144503
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Nature of metal–nonmetal transition in metal–ammonia solutions. II. From uniform metallic state to inhomogeneous electronic microstructureChuev, Gennady N. / Que´merais, Pascal et al. | 2008
- 144504
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Theoretical and numerical study of the phase diagram of patchy colloids: Ordered and disordered patch arrangementsBianchi, Emanuela / Tartaglia, Piero / Zaccarelli, Emanuela / Sciortino, Francesco et al. | 2008
- 144505
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Thermodynamics and dynamics of a monoatomic glass former. Constant pressure and constant volume behaviorKapko, Vitaliy / Matyushov, Dmitry V. / Angell, C. Austen et al. | 2008
- 144506
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Optically controlled resonance energy transfer: Mechanism and configuration for all-optical switchingBradshaw, David S. / Andrews, David L. et al. | 2008
- 144507
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Vibrational dynamics and structural investigation of 2,2′-dipyridylketone using Raman, IR and UV-visible spectroscopy aided by ab initio and density functional theory calculationSett, Pinaky / Mishra, Tumpa / Chowdhury, Joydeep / Ghosh, Manas / Chattopadhyay, Subrato / Kumar Sarkar, Susil / Kumar Mallick, Prabal et al. | 2008
- 144507
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Vibrational dynamics and structural investigation of 2,2'-dipyridylketone using Raman, IR and UV-visible spectroscopy aided by emph TYPE="1">ab initio and density functional theory calculationSett, Pinaky et al. | 2008
- 144508
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A mode-coupling theory treatment of the transport coefficients of the Lennard–Jones fluidEgorov, S. A. et al. | 2008
- 144509
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Scaling law of stable single cells in density fingering of chemical frontsTo´th, Tamara / Horva´th, Dezso¨ / To´th, A´gota et al. | 2008
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Polarized pump-probe measurements of electronic motion via a conical intersectionFarrow, Darcie A. / Qian, Wei / Smith, Eric R. / Ferro, Allison A. / Jonas, David M. et al. | 2008
- 144511
-
Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogenLiu, Jian / Miller, William H. et al. | 2008
- 144512
-
Thermal history effects and methyl tunneling dynamics in a supramolecular complex of calixarene and emph TYPE="1">para-xylenePanesar, K.S. et al. | 2008
- 144512
-
Thermal history effects and methyl tunneling dynamics in a supramolecular complex of calixarene and para-xylenePanesar, K. S. / Horsewill, A. J. / Cuda, F. / Carravetta, M. / Mamone, S. / Danquigny, A. / Grossel, M. C. / Levitt, M. H. et al. | 2008
- 144701
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Combining density functional theory and cluster expansion methods to predict H2 permeance through Pd-based binary alloy membranesSemidey-Flecha, Lymarie / Sholl, David S. et al. | 2008
- 144702
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New algorithm in the basin hopping Monte Carlo to find the global minimum structure of unary and binary metallic nanoclustersKim, Hyoung Gyu / Choi, Si Kyung / Lee, Hyuck Mo et al. | 2008
- 144703
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The effect of the surface of SnO2 nanoribbons on their luminescence using x-ray absorption and luminescence spectroscopyZhou, X. T. / Zhou, J. G. / Murphy, M. W. / Ko, J. Y. P. / Heigl, F. / Regier, T. / Blyth, R. I. R. / Sham, T. K. et al. | 2008
- 144704
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Hydrogen storage in pure and Li-doped carbon nanopores: Combined effects of concavity and dopingCabria, I. / Lo´pez, M. J. / Alonso, J. A. et al. | 2008
- 144705
-
Self-assembled monolayer of alkanephosphoric acid on nanotextured TiClair, Sylvain / Variola, Fabio / Kondratenko, Mykola / Jedrzejowski, Pawel / Nanci, Antonio / Rosei, Federico / Perepichka, Dmitrii F. et al. | 2008
- 144706
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Ion condensation on charged patterned surfacesVelichko, Yuri S. / Solis, Francisco J. / Olvera de la Cruz, Monica et al. | 2008
- 144707
-
The structure and energetics of (GaAs)n, (GaAs)n−, and (GaAs)n+ (n=2–15)Gutsev, G. L. / Johnson, E. / Mochena, M. D. / Bauschlicher, C. W. et al. | 2008
- 144708
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Pressure effects on CrCl63− embedded in cubic Cs2NaMCl6 (M=Sc,Y) lattices: Study through periodic and cluster calculationsGarci´a-Lastra, J. M. / Moreno, M. / Barriuso, M. T. et al. | 2008
- 144708
-
Pressure effects on CrCl6sup ARRANGE="STAGGER">3- embedded in cubic Cs2NaMCl6 (M=Sc,Y) lattices: Study through periodic and cluster calculationsGarci´a-Lastra, J.M. et al. | 2008
- 144709
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Characterization of enantiospecific chemisorption on chiral Cu surfaces vicinal to Cu(111) and Cu(100) using density functional theoryBhatia, Bhawna / Sholl, David S. et al. | 2008
- 144710
-
Cage and tube structures of medium-sized zinc oxide clusters (ZnO)n (n=24, 28, 36, and 48)Wang, Baolin / Wang, Xiaoqiu / Chen, Guibin / Nagase, Shigeru / Zhao, Jijun et al. | 2008
- 144711
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Extracting maximum information from polarized surface vibrational spectra: Application to etched, H-terminated Si(110) surfacesClark, Ian T. / Aldinger, Brandon S. / Gupta, Ankush / Hines, Melissa A. et al. | 2008
- 144901
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Conformational behavior of polymers adsorbed on nanotubesGurevitch, Inna / Srebnik, Simcha et al. | 2008
- 144902
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Multiparticle collision dynamics modeling of viscoelastic fluidsTao, Yu-Guo / Go¨tze, Ingo O. / Gompper, Gerhard et al. | 2008
- 144903
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Dissipative particle dynamics simulation of depletion layer and polymer migration in micro- and nanochannels for dilute polymer solutionsFedosov, Dmitry A. / Em Karniadakis, George / Caswell, Bruce et al. | 2008
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Normal mode partitioning of Langevin dynamics for biomoleculesSweet, Christopher R. / Petrone, Paula / Pande, Vijay S. / Izaguirre, Jesús A. et al. | 2008
- 145102
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Protein dynamics from a NMR perspective: Networks of coupled rotators and fractional Brownian dynamicsCalandrini, Vania / Abergel, Daniel / Kneller, Gerald R. et al. | 2008
- 145103
-
Approximating nonequilibrium processes using a collection of surrogate diffusion modelsCalderon, Christopher P. / Chelli, Riccardo et al. | 2008
- 145104
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Efficient chain moves for Monte Carlo simulations of a wormlike DNA model: Excluded volume, supercoils, site juxtapositions, knots, and comparisons with random-flight and lattice modelsLiu, Zhirong / Chan, Hue Sun et al. | 2008
- 147101
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Comment on “Markovian approximation in a coarse-grained description of atomic systems” [J. Chem. Phys. 125, 204101 (2006)]Cubero, David et al. | 2008
- 147101
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Comment on "Markovian approximation in a coarse-grained description of atomic systems" [J. Chem. Phys. emph TYPE="3">125, 204101 (2006)]Cubero, David et al. | 2008
- 147102
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Response to “Comment on ‘Markovian approximation in a coarse-grained description of atomic systems’ ” [J. Chem. Phys. 128, 147101 (2008)]Hijo´n, Carmen / Serrano, Mar / Espan˜ol, Pep et al. | 2008
- 147102
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Response to "Comment on 'Markovian approximation in a coarse-grained description of atomic systems' " [J. Chem. Phys. emph TYPE="3">128, 147101 (2008)]Hijo´n, Carmen et al. | 2008
- 149901
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Publisher's Note: "Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol" [J. Chem. Phys. emph TYPE="3">127, 224501 (2007)]Costa, D. et al. | 2008
- 149901
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Publisher’s Note: “Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol” [J. Chem. Phys. 127, 224501 (2007)]Costa, D. / Munao´, G. / Saija, F. / Caccamo, C. et al. | 2008
- 149902
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Publisher's Note: "Mean field kinetic theory for a lattice gas model of fluids confined in porous materials" [J. Chem. Phys. emph TYPE="3">128, 084701 (2008)]Monson, Peter A. et al. | 2008
- 149902
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Publisher’s Note: “Mean field kinetic theory for a lattice gas model of fluids confined in porous materials” [J. Chem. Phys. 128, 084701 (2008)]Monson, Peter A. et al. | 2008
- 149903
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Erratum: "emph TYPE="1">In situ high-pressure x-ray diffraction study of H2O ice VII" [J. Chem. Phys. emph TYPE="3">128, 064510 (2008)]Somayazulu, Maddury et al. | 2008
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Erratum: “In situ high-pressure x-ray diffraction study of H2O ice VII” [J. Chem. Phys. 128, 064510 (2008)]Somayazulu, Maddury / Shu, Jinfu / Zha, Chang-sheng / Goncharov, Alexander F. / Tschauner, Oliver / Mao, Ho-kwang / Hemley, Russell J. et al. | 2008