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Chemisorption/physisorption: ...
Adsorption kinetics
Diffusion; interface formation
Surface and interface chemist...
Density functional theory, lo...
Diffuse spectra; predissociat...
Evaporation and condensation ...
Atomic, molecular, and ion be...
Thin film structure and morph...
Solutions of wave equations: ...
Rate constants, reaction cros...
Quantum mechanics
Other multiphoton processes
Transition state theory and s...
Ionization potentials, electr...
Elemental solids
Density-functional theory
Thermoelectric and thermomagn...
Fluctuation phenomena, random...
Surface and interface dynamic...
1.
Soto-Verdugo Víctor; Metiu Horia; Gwinn Elisabeth
The properties of small Ag clusters bound to DNA bases
2.
Chrétien Steeve; Metiu Horia
O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: The importance of spin conservation
3.
Metiu H.
Preface to Special Topic: A Survey of Some New Developments in Heterogeneous Catalysis
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4.
Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules
5.
Density functional study of the interaction between small Au clusters, Aun(n=1–7); and the rutile TiO2 surface. II. Adsorption on a partially reduced surface
6.
Density functional study of the interaction between small Au clusters, Aun(n=1–7); and the rutile TiO2 surface. I. Adsorption on the stoichiometric surface
7.
Temel Burcin; Meskine Hakim; Reuter Karsten; Scheffler Matthias; Metiu Horia
Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?
8.
Density functional study of the charge on Aun clusters (n=1–7); supported on a partially reduced rutile TiO2(110); Are all clusters negatively charged?
9.
Tong Xiao; Benz Lauren; Chrétien Steeve; Kemper Paul; Kolmakov Andrei; Metiu Horia; Bowers Michael T.; Buratto Steven K.
Pinning mass-selected Agn clusters on the TiO2(110)-1×1; surface via deposition at high kinetic energy
10.
Metiu Horia
Preface: Recent developments in density functional theory: Orbital dependent functionals
11.
Benz Lauren; Tong Xiao; Kemper Paul; Lilach Yigal; Kolmakov Andrei; Metiu Horia; Bowers Michael T.; Buratto Steven K.
Landing of size-selected Agn+ clusters on single crystal TiO2(110)-(1×1); surfaces at room temperature
12.
Chrétien Steeve; Gordon Mark S.; Metiu Horia
Density functional study of the adsorption of propene on mixed gold-silver clusters, AunAgm: Propensity rules for binding
13.
Density functional study of the adsorption of propene on silver clusters, Agmq(m=1–5;;q=0, +1)
14.
Binding of propene on small gold clusters and on Au(111): Simple rules for binding sites and relative binding energies
15.
Mills Greg; Wang Bing; Ho Wilson; Metiu Horia
Electronic states of linear Au clusters supported on metal surfaces: Why are they like those of a particle in a box?
16.
Varganov Sergey A.; Olson Ryan M.; Gordon Mark S.; Mills Greg; Metiu Horia
A study of the reactions of molecular hydrogen with small gold clusters
17.
Varganov Sergey A.; Olson Ryan M.; Gordon Mark S.; Metiu Horia
The interaction of oxygen with small gold clusters
18.
Vijay Amrendra; Mills Greg; Metiu Horia
Adsorption of gold on stoichiometric and reduced rutile TiO2 (110); surfaces
19.
Mills Greg; Gordon Mark S.; Metiu Horia
Oxygen adsorption on Au clusters and a rough Au(111) surface: The role of surface flatness, electron confinement, excess electrons, and band gap
20.
Bryan J. Daniel; Blake Nick P.; Metiu Horia; Stucky Galen D.; Iversen Bo B.; Poulsen Rasmus D.; Bentien Anders
Nonstoichiometry and chemical purity effects in thermoelectric Ba8Ga16Ge30 clathrate
21.
Structure of the (001) surface of γ alumina
22.
Møllnitz Lone; Blake Nick P.; Metiu Horia
Effects of morphology on the electronic and transport properties of Sn-based clathrates
23.
Blake Nick P.; Stucky Galen D.; Bryan J. Dan; Latturner Susan; Metiu Horia
Erratum: “Band structures and thermoelectric properties of the clathrates ;Ba8Ga16Ge30,Sr8Ga16Ge30,Ba8Ga16Si30, and Ba8In16Sn30”; [J. Chem. Phys. ;115, 8060 (2001)]
24.
Makarov Dmitrii E.; Metiu Horia
A model for the kinetics of protein folding: Kinetic Monte Carlo simulations and analytical results
25.
Vijay Amrendra; Metiu Horia
A polynomial expansion of the quantum propagator, the Green’s function, and the spectral density operator
26.
Blake Nick P.; Latturner Susan; Bryan J. Daniel; Stucky Galen D.; Metiu Horia
Band structures and thermoelectric properties of the clathrates Ba8Ga16Ge30,Sr8Ga16Ge30,Ba8Ga16Si30, and Ba8In16Sn30
27.
Control, with a rf field, of photon emission times by a single molecule and its connection to laser-induced localization of an electron in a double well
28.
Blake Nick P.; Bryan Dan; Latturner Susan; Møllnitz Lone; Stucky Galen D.; Metiu Horia
Structure and stability of the clathrates Ba8Ga16Ge30,Sr8Ga16Ge30,Ba8Ga16Si30, and Ba8In16Sn30
29.
Makarov Dmitrii E.; Hansma Paul K.; Metiu Horia
Kinetic Monte Carlo simulation of titin unfolding
30.
Larsen Ross E.; Metiu H.
Resolution and polarization in apertureless near-field microscopy
31.
Mattsson Thomas R.; Metiu Horia
Nucleation and coarsening during epitaxy on a substrate subject to periodic strain: Spatial ordering and size uniformity
32.
Shannon Scott R.; Campbell Branton J.; Metiu Horia; Blake Nick P.
Cation-vacancy ordering in dehydrated Na6[;AlSiO4];6
33.
Wu M. W.; Metiu H.
The effect of strain on the adsorption of CO on Pd(100)
34.
Kinetics of spin coherence of electrons in an undoped semiconductor quantum well
35.
Stochastic Schrödinger equation. II. A study of the coherence seen in pump-probe experiments that use a strong pump laser
36.
Quantum dynamics with dissipation: A treatment of dephasing in the stochastic Schrödinger equation
37.
Tamborenea P. I.; Metiu H.
Interacting Two-Electron Model of a Coherent Quantum-Dot Single-Electron Turnstile
38.
Mills Greg; Mattsson Thomas R.; Møllnitz Lone; Metiu Horia
Simulations of mobility and evaporation rate of adsorbate islands on solid surfaces
39.
Kinetic Monte Carlo simulations of nucleation on a surface with periodic strain: Spatial ordering and island-size distribution
40.
Blake Nick P.; Møllnitz Lone; Kresse Georg; Metiu Horia
Why clathrates are good thermoelectrics: A theoretical study of Sr8Ga16Ge30
41.
Mattsson Thomas R.; Mills Greg; Metiu Horia
A new method for simulating the late stages of island coarsening in thin film growth: The role of island diffusion and evaporation
42.
Coherent control of multisubband wavepackets with terahertz (Thz) pulses
43.
Blake Nick P.; Metiu Horia
The importance of self-interaction and nonlocal exchange corrections to the density functional theory of intracavity electrons in Na-doped sodalites
44.
Self-interaction-corrected band structure calculations for intracavity electrons in electro-sodalite
45.
Weston Kenneth D.; Carson Paul J.; Metiu Horia; Buratto Steven K.
Room-temperature fluorescence characteristics of single dye molecules adsorbed on a glass surface
46.
Braun M.; Metiu H.; Engel V.
Molecular femtosecond excitation described within the Gaussian wave packet approximation
47.
Some constraints involving the statistical properties of trajectories run in the Monte Carlo computation of a rate constant and their use in improving and testing the quality of sampling
48.
Bogicevic Alexander; Liu Shudun; Jacobsen Joachim; Lundqvist Bengt; Metiu Horia
Island migration caused by the motion of the atoms at the border: Size and temperature dependence of the diffusion coefficient
49.
Jin Kui-juan; Mahan Gerald D.; Metiu Horia; Zhang Zhenyu
Quantum-Size Effects on the Pattern Formation of Monatomic-Layer-High Metal Islands on Surfaces
50.
Fitting potential-energy surfaces: A search in the function space by directed genetic programming
51.
The reaction rate constant in a system with localized trajectories in the transition region: Classical and quantum dynamics
52.
Auerbach Scott M.; Metiu Horia I.
Modeling orientational randomization in zeolites: A new probe of intracage mobility, diffusion and cation disorder
53.
Diffusion in zeolites via cage‐to‐cage kinetics; Modeling benzene diffusion in Na‐Y
54.
Shao Hongxiao; Weakliem Paul C.; Metiu Horia
Evaporation of single atoms from an adsorbate island or a step to a terrace: Evaporation rate and the underlying atomic‐level mechanism
55.
Blake Nick P.; Srdanov Vojislav I.; Stucky Galen D.; Metiu Horia
An investigation of the electronic and optical properties of dehydrated sodalite fully doped with Na
56.
Dakhnovskii Yuri; Bavli Raanan; Metiu Horia
Localization and delocalization of an electron in biased and unbiased quantum wells driven by a mono‐ and bichromatic laser field
57.
Efficient absorption line shape calculations for an electron coupled to many quantum degrees of freedom: Applications to an electron solvated in dry sodalite and halo‐sodalites
58.
Liu Shudun; Bönig Lutz; Metiu Horia
Effect of small‐cluster mobility and dissociation on the island density in epitaxial growth
59.
Shin Seokmin; Metiu Horia
Nonadiabatic effects on the charge transfer rate constant: A numerical study of a simple model system
60.
Chakravarty Charusita; Metiu Horia
The kinetics of H2 dissociative chemisorption: The role of transients
61.
Liu Shudun; Bönig Lutz; Detch John; Metiu Horia
Submonolayer growth with repulsive impurities: Island density scaling with anomalous diffusion
62.
Shao Hongxiao; Liu Shudun; Metiu Horia
Evolution to equilibrium of the shape of an island formed by the aggregation of adsorbed atoms
63.
Dakhnovskii Yuri; Metiu Horia
Absolute negative resistance in double‐barrier heterostructures in a strong laser field
64.
Blake Nick P.; Metiu H.
Absorption spectrum calculations for a system having a few quantum and many ‘‘classical’’ degrees of freedom
65.
Monnier Alain; Srdanov Vojislav; Stucky Galen; Metiu Horia
The properties of electrons in sodalite saturated with alkali atoms
66.
Engel V.; Metiu H.
Two‐photon wave‐packet interferometry
67.
Liu Fong; Metiu Horia
Stability and kinetics of step motion on crystal surfaces
68.
Liu Shudun; Zhang Zhenyu; Comsa George; Metiu Horia
Kinetic mechanism for island shape variations caused by changes in the growth temperature
69.
Haug Kenneth; Metiu Horia
Absorption spectrum calculations using mixed quantum‐Gaussian wave packet dynamics
70.
Zhang Zhenyu; Metiu Horia
Kinetic stability of missing‐dimer and single‐atom defects on Si(100)
71.
Dynamics of phase separation of crystal surfaces
72.
Conditions leading to intense low‐frequency generation and strong localization in two‐level systems
73.
Zhang Zhenyu; Detch John; Metiu Horia
Surface roughness in thin‐film growth; The effect of mass transport between layers
74.
Bavli Raanan; Metiu Horia
On the use of time domain methods to study the excitation of a molecule by a strong, long laser pulse
75.
Properties of an electron in a quantum double well driven by a strong laser: Localization, low‐frequency, and even‐harmonic generation
76.
Dateo Christopher E.; Metiu Horia
Vibrational predissociation of methylnitrite using phase‐locked ultrashort laser pulses
77.
A test of the possibility of calculating absorption spectra by mixed quantum‐classical methods
78.
Laser‐induced localization of an electron in a double‐well quantum structure
79.
Zhang Zhenyu; Lu Yan-Ten; Metiu Horia
Kinetic mechanism for the transformation of single‐layer steps into double‐layer steps by Si deposition on a vicinal Si(100) surface
80.
Haug Kenneth; Srdanov Voislav; Stucky Galen; Metiu Horia
The absorption spectrum of an electron solvated in sodalite
81.
Bavli Raanan; Engel Volker; Metiu Horia
The sensitivity of absorption experiments with phase locked ultrashort pulses to the excited state potential energy surface
82.
Lu Yan-Ten; Metiu Horia
Epitaxy on vicinal surfaces: The critical flux and the diffusion coefficients
83.
Numerical solution of the time‐dependent Schrödinger equation in spherical coordinates by Fourier‐transform methods
84.
The absorption spectrum of a potassium atom in a Xe cluster
85.
Engel Volker; Metiu Horia
Vibrational coherence effects in the pump–probe studies of photochemical predissociation
86.
Quantum simulation of hydrogen migration on Ni(100): The role of fluctuations, recrossing, and multiple jumps
87.
Lu Yan-Ten; Petroff Pierre; Metiu Horia
Growth kinetics simulation of the Al‐Ga self‐organization on (100) GaAs vicinal surfaces
88.
Metiu Horia; Engel Volker
A theoretical study of I2 vibrational motion after excitation with an ultrashort pulse
89.
Zhang Zhenyu; Haug Kenneth; Metiu Horia
Exact classical simulation of hydrogen migration on Ni(100): The role of fluctuations, recrossing, and multiple jumps
90.
Coherence, transients and interference in photodissociation with Ultrashort pulses
91.
Adsorbate migration on a solid surface: The connection between hopping dynamics and the atom‐surface interaction energy
92.
CH3ONO predissociation by ultrashort laser pulses: Population transients and product state distribution
93.
Haug Kenneth; Wahnström Göran; Metiu Horia
Hydrogen motion on a rigid Cu surface: The calculation of the site to site hopping rate by using flux–flux correlation functions
94.
Engel Volker; Schinke Reinhard; Hennig Steffen; Metiu Horia
A time‐dependent interpretation of the absorption spectrum of CH;3ONO
95.
Metiu Horia; DePristo Andrew E.
Surface damage caused by bombardment with low‐energy (10–30 eV) argon
96.
Two‐photon excitation of NaI with femtosecond laser pulses
97.
DePristo Andrew E.; Metiu Horia
Erratum: Molecular dynamics simulations of energy flow at a solid surface: New methods using a smaller number of atoms [J. Chem. Phys. ;90, 1229 (1989)]
98.
Heather Robert; Metiu Horia
Time‐dependent theory of Raman scattering for systems with several excited electronic states; Application to a H;+3 model system
99.
A quantum mechanical study of predissociation dynamics of NaI excited by a femtosecond laser pulse
100.
Jiang Xue-Pei; Heather Robert; Metiu Horia
Time dependent calculations of the absorption spectrum of a photodissociating system with two interacting excited electronic states
101.
Molecular dynamics simulations of energy flow at a solid surface. New methods using a small number of atoms
102.
Hydrogen motion on a Cu surface: A model study of the rate of single and double site‐to‐site jumps and the role of the motion perpendicular to the surface
103.
Das Purna C.; Metiu Horia; Puri Ashok
Surface enhanced two photon absorption near a small metal particle
104.
The relative kinetic energy distribution of the hydrogen atoms formed by the dissociation of the electronically excited H2 molecule
105.
Nagano S.; Huo W. M.; Metiu H.; Luo Z.-P.; McKoy V.
Electron scattering distributions as a probe of adsorbate orientation: CO and N2
106.
Multiphoton dissociation of a diatomic molecule: Laser intensity, frequency, and pulse shape dependence of the fragment momentum distribution
107.
Alvarellos José; Metiu Horia
The evolution of the wave function in a curve crossing problem computed by a fast Fourier transform method
108.
Wahnström Göran; Carmeli Benny; Metiu Horia
The calculation of the thermal rate coefficient by a method combining classical and quantum mechanics
109.
Jiang Xue-Pei; Metiu Horia
A Monte Carlo analysis of diffusion measurements in surface science systems that undergo phase transitions
110.
An efficient procedure for calculating the evolution of the wave function by fast Fourier transform methods for systems with spatially extended wave function and localized potential
111.
Jackson Bret; Metiu Horia
The dynamics of H2 dissociation on Ni(100): A quantum mechanical study of a restricted two‐dimensional model
112.
Nagano Seido; Luo Zi-Ping; Metiu Horia; Huo Winifred M.; Lima Marco A. P.; McKoy Vincent
On the possibility of using differential cross section measurements for the electronic excitation of adsorbates by an electron beam, to determine the adsorbate orientation
113.
A multiple Gaussian wave packet theory of H2 diffraction and rotational excitation by collision with solid surfaces
114.
Sawada Shin-Ichi; Metiu Horia
A Gaussian wave packet method for studying time dependent quantum mechanics in a curve crossing system: Low energy motion, tunneling, and thermal dissipation
115.
Mean trajectory Gaussian wave packet approach to rotationally inelastic molecule–surface diffraction
116.
A numerical study of the multiple Gaussian representation of time dependent wave functions of a Morse oscillator
117.
Sawada S.; Metiu H.
A multiple trajectory theory for curve crossing problems obtained by using a Gaussian wave packet representation of the nuclear motion
118.
Lee Jihwa; Hanrahan Ciaran; Martin Richard M.; Arias Jose; Metiu Horia
Potassium‐doped polyacetylene studied by photoelectron and metastable quenching spectroscopy
119.
Sawada Shin-Ichi; Heather Robert; Jackson Bret; Metiu Horia
A strategy for time dependent quantum mechanical calculations using a Gaussian wave packet representation of the wave function
120.
The temperature dependence of diffracted beam intensities in atom–surface scattering
121.
Sawada Shin-Ichi; Nitzan Abraham; Metiu Horia
Mean‐trajectory approximation for charge‐ and energy‐transfer processes at surfaces
122.
An examination of the use of wave packets for the calculation of atom diffraction by surfaces
123.
Lee Jiwha; Martin Richard M.; Bozso Ferenc; Arias Jose; Hanrahan Ciaran; Metiu Horia
Unusual metastable‐quenching spectrum of K/Ni(111) and its explanation by a new quenching mechanism
124.
Lee Jiwha; Arias Jose; Hanrahan Ciaran P.; Martin Richard M.; Metiu Horia
The properties of CO and K co‐adsorbed on Ni(111), studied by thermal desorption and metastable quenching spectroscopy
125.
Leung K. M.; Schön G.; Rudolph P.; Metiu Horia
The use of an independent boson model to study the dynamic effects of electron excitations by a particle colliding with a metal surface
126.
Hood Eric; Jedrzejek Czeslaw; Freed Karl F.; Metiu Horia
A one‐dimensional model for phonon‐induced desorption. II. Numerical analysis of the desorption of noble gas atoms (argon, krypton, and xenon) from tungsten and carbon monoxide from copper
127.
Metiu H.; Schön Gerd
Description of quantum noise by a Langevin equation
128.
Korzeniewski Gregory E.; Hood Eric; Metiu Horia
The role of electron–hole pair excitations in desorption dynamics
129.
Hood Eric; Metiu Horia
Summary Abstract: A study of desorption using a simple quantum model
130.
Lee Jiwha; Martin Richard M.; Hanrahan Ciaran P.; Arias Jose; Metiu Horia
Atomic exchange between CO molecules coadsorbed with potassium on Ni(111)
131.
Lee Jiwha; Hanrahan Ciaran P.; Arias Jose; Martin Richard M.; Metiu Horia
Detection by metastable quenching spectroscopy of enhanced back‐donation from a Ni(111) surface to the ;2π;*; orbital of chemisorbed CO, caused by coadsorption of potassium
132.
Petschek R. G.; Metiu H.
A computer simulation of the time‐dependent Ginzburg–Landau model for spinodal decomposition
133.
Metiu H.; Schatz George C.; Ross John
Comments on two treatments of symmetry rules in chemical reactions
134.
Efrima Shlomo; Hood Eric; Freed Karl F.; Jedrzejek Czeslaw; Metiu H.
A one‐dimensional model for phonon‐induced desorption
135.
Meakin Paul; Petschek R. G.; Metiu H.; Scalapino D. J.
The simulation of spinodal decomposition in two dimensions: A comparison of Monte Carlo and Langevin dynamics
136.
Bozso Ferenc; Metiu Horia; Arias Jose; Yates John T.; Martin Richard M.
A surface Penning ionization study of the CO/Ni(111) system
137.
Korzeniewski G.; Hood E.; Metiu H.
A one‐dimensional model for the study of the influence of heat, sound, photons, and electron‐hole pairs on the rate of desorption
138.
Maniv Tsofar; Metiu Horia
Electrodynamics at a metal surface. II. Fresnel formulas for the electromagnetic field at the interface for a jellium model within the random phase approximation
139.
Plasmon mediated, long range, oscillating van der Waals forces between molecules adsorbed on metals
140.
Korzeniewski Gregory E.; Maniv Tsofar; Metiu Horia
Electrodynamics at metal surfaces. IV. The electric fields caused by the polarization of a metal surface by an oscillating dipole
141.
Electrodynamics at a metal surface. III. Reflectance and the photoelectron yield of a thin slab
142.
Metiu Horia; Gadzuk J. W.
Theory of rate processes at metal surfaces. II. The role of substrate electronic excitations
143.
Electrodynamics at a metal surface with applications to the spectroscopy of adsorbed molecules. I. General theory
144.
Gadzuk J. W.; Metiu H.
Theory of electron‐hole pair excitations in unimolecular processes at metal surfaces.I. X‐ray edge effects
145.
Adams Arnold; Rendell R. W.; West W. P.; Broida H. P.; Hansma ¶. K.; Metiu Horia
Luminescence and nonradiative energy transfer to surfaces
146.
Electron gas effects in the spectroscopy of molecules chemisorbed at a metal surface. I. Theory
12
Blake, Nick
9
Chrétien, Steeve
8
Makarov, Dmitrii E.
7
Stucky, Galen D.
Mills, Greg
6
Gordon, Mark S.
Jackson, Bret
5
Maniv, Tsofar
4
Møllnitz, Lone
3
Mattsson, Thomas R.
Latturner, Susan
Vijay, Amrendra
Srdanov, Vojislav I.
Dakhnovskii, Yuri
Engel, Volker