| 2021 - 2024 |
Controlling molecular ground-state dissociation by optimizing vibrational ladder climbing
Witte T, Hornung T, Windhorn L, Proch D, de Vivie-Riedle R, Motzkus M, Kompa KL |
| 2025 - 2032 |
A concerted variational strategy for investigating rare events
Passerone D, Ceccarelli M, Parrinello M |
| 2033 - 2038 |
Computation of molecular Hartree-Fock Wigner intracules
Besley NA, O'Neill DP, Gill PMW |
| 2039 - 2056 |
Continuum description of solvent dielectrics in molecular-dynamics simulations of proteins
Egwolf B, Tavan P |
| 2057 - 2060 |
A new concise expression for the free energy of a reaction coordinate
Schlitter J, Klahn M |
| 2061 - 2071 |
Locally coupled coherent states and Herman-Kluk dynamics
Child MS, Shalashilin DV |
| 2072 - 2080 |
Gradient-free and gradient-dependent approximations in the total energy bifunctional for weakly overlapping electron densities
Wesolowski TA, Tran F |
| 2081 - 2091 |
Equivalent core model: Extended theory and applications
Kryzhevoi NV, Dobrodey NV, Cederbaum LS |
| 2092 - 2107 |
Time-dependent interplay between electron emission and fragmentation in the interatomic Coulombic decay
Scheit S, Cederbaum LS, Meyer HD |
| 2108 - 2115 |
Photoelectron spectroscopy of Ti-n(-) clusters (n=1-130)
Liu SR, Zhai HJ, Castro M, Wang LS |
| 2116 - 2123 |
Structural and electronic properties of small titanium clusters: A density functional theory and anion photoelectron spectroscopy study
Castro M, Liu SR, Zhai HJ, Wang LS |
| 2124 - 2129 |
Spectroscopically determined potential energy surface of (H2O)-O-16 up to 25 000 cm(-1)
Shirin SV, Polyansky OL, Zobov NF, Barletta P, Tennyson J |
| 2130 - 2134 |
The reaction HCl++CF4 -> HCF4++Cl: Implications for the heat of formation of CF3+
Ferguson EE, Miller TM, Viggiano AA |
| 2135 - 2152 |
Semiclassical calculation of thermal rate constants in full Cartesian space: The benchmark reaction D+H-2 -> DH+H
Yamamoto T, Miller WH |
| 2153 - 2158 |
Absolute total and partial cross sections for the electron impact ionization of diborane (B2H6)
Basner R, Schmidt M, Becker K |
| 2159 - 2163 |
Bond-forming reactions of dications: Production of ArO+ and ArO2+ in the reaction of Ar2+ with O-2
Ascenzi D, Franceschi P, Tosi P, Bassi D, Kaczorowska M, Harvey JN |
| 2164 - 2172 |
Oxygen isotopic fractionation during UV and visible light photodissociation of ozone
Chakraborty S, Bhattacharya SK |
| 2173 - 2179 |
The excited electronic state of the silver-ammonia complex
Miyawaki J, Sugawara K |
| 2180 - 2185 |
Ferromagnetic spin coupling in the manganese trimer ion evidenced by photodissociation spectroscopy
Terasaki A, Briere TM, Kulawik M, Minemoto S, Tono K, Matsushita A, Kondow T |
| 2186 - 2189 |
Quantal study of the exchange reaction for N+N-2 using an ab initio potential energy surface
Wang DY, Stallcop JR, Huo WM, Dateo CE, Schwenke DW, Partridge H |
| 2190 - 2196 |
Optical spectroscopy of jet-cooled NiSi
Lindholm NF, Brugh DJ, Rothschopf GK, Sickafoose SM, Morse MD |
| 2197 - 2205 |
Hydrogen molecular ion and molecule in two dimensions
Patil SH |
| 2206 - 2213 |
Inelastic collision cross sections of CH(X (2)Pi) with He(S-1) on new ab initio surfaces
Ben Abdallah D, Jaidane N, Lakhdar ZB, Spielfiedel A, Feautrier N |
| 2214 - 2222 |
The asymmetric dimer N-2-O-2: Characterization of the potential energy surface and quantum mechanical calculation of rotovibrational levels
Aquilanti V, Bartolomei M, Carmona-Novillo E, Pirani F |
| 2223 - 2234 |
Decay dynamics of the vibrationally activated OH-CO reactant complex
Pond BV, Lester MI |
| 2235 - 2241 |
Characterization of the (X)over-tilde (2)A(1) (0,0,0) ground vibronic state of CH2+ by pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopy
Willitsch S, Merkt F |
| 2242 - 2255 |
A monomers-in-dimers model for carboxylic acid dimers
Emmeluth C, Suhm MA, Luckhaus D |
| 2256 - 2263 |
Quantification of order in the Lennard-Jones system
Errington JR, Debenedetti PG, Torquato S |
| 2264 - 2269 |
Thermodynamically consistent equation of state of hard sphere fluids
Eu BC, Ohr YG |
| 2270 - 2278 |
Orientational relaxation and vibrational excitation transfer in methanol-carbon tetrachloride solutions
Gaffney KJ, Piletic IR, Fayer MD |
| 2279 - 2285 |
Solute-structure dependence of solvation dynamics studied by reference interaction-site model theory
Nishiyama K, Hirata F, Okada T |
| 2286 - 2300 |
Association in a four-coordinated, water-like fluid
Peery TB, Evans GT |
| 2301 - 2307 |
Determination of the conditional association constants from the sound velocity data in binary liquid mixtures
Glinski J |
| 2308 - 2324 |
The cohesive energetics of solid cesium chloride
Pyper NC |
| 2325 - 2341 |
C-13-H-1 dipolar-driven C-13-C-13 recoupling without C-13 rf irradiation in nuclear magnetic resonance of rotating solids
Takegoshi K, Nakamura S, Terao T |
| 2342 - 2348 |
Quasisaddles of liquids: Computational study of a bulk Lennard-Jones system
Shah P, Chakravarty C |
| 2349 - 2356 |
Mechanism of linear and nonlinear optical effects of KDP and urea crystals
Lin ZS, Wang ZH, Chen CT, Lee MH |
| 2357 - 2366 |
Eley-Rideal reactions of H atoms with Cl adsorbed on Au(111): Quantum and quasiclassical studies
Quattrucci JG, Jackson B, Lemoine D |
| 2367 - 2373 |
Diffusion-controlled reactions with a binding site hidden in a channel
Dagdug L, Berezhkovskii A, Bezrukov SM, Weiss GH |
| 2374 - 2380 |
Solution effects and the order of the helix-coil transition in polyalanine
Peng Y, Hansmann UHE, Alves NA |
| 2381 - 2391 |
Non-Gaussian dynamics from a simulation of a short peptide: Loop closure rates and effective diffusion coefficients
Portman JJ |
| 2392 - 2397 |
An effective-colloid pair potential for Lennard-Jones colloid-polymer mixtures
Guzman O, de Pablo JJ |
| 2398 - 2404 |
Dynamics of deterministic fractal polymer networks: Hydrodynamic interactions and the absence of scaling
Jurjiu A, Koslowski T, Blumen A |
| 2405 - 2410 |
Atomic scale fractal dimensionality in proteins
Medini D, Widom A |
| 2411 - 2421 |
Chain orientation and slow dynamics in elastomers by mixed magic-Hahn echo decays
Fechete R, Demco DE, Blumich B |
| 2422 - 2430 |
Macroscopic dynamics of ferronematics
Jarkova E, Pleiner H, Muller HW, Brand HR |
| 2431 - 2442 |
A density-functional theory for polymer liquids based on the interaction site model
Sumi T, Hirata F |
| 2443 - 2445 |
Optical four wave mixing spectroscopy for multilevel systems coupled to multimode Brownian oscillators
Sung JY, Silbey RJ |
| 2446 - 2446 |
Theory of solutions in the energy representation. II. Functional for the chemical potential (vol 117, pg 3605, 2002)
Matubayasi N, Nakahara M |
