| 4337 - 4340 |
Lateral confinement of image electron wave function by an interfacial dipole lattice
Dutton G, Pu J, Truhlar DG, Zhu XY |
| 4341 - 4344 |
Two photon absorption and photo-induced polymerization in partially polymerized crystals of polydiacetylene poly[4,6-dodecadiyn-1,10-diol-bis(n-butoxycarbonylmethylurethane)]
Polyakov S, Pauchard T, Stegeman G, Berrehar J, Schott M |
| 4345 - 4348 |
Dynamical mean-field theory for inhomogeneous polymeric systems
Ganesan V, Pryamitsyn V |
| 4349 - 4356 |
Negative Fukui functions: New insights based on electronegativity equalization
Bultinck P, Carbo-Dorca R, Langenaeker W |
| 4357 - 4364 |
Quantum dynamics for dissipative systems: A numerical study of the Wigner-Fokker-Planck equation
Zhang SS, Pollak E |
| 4365 - 4369 |
An efficient orbital transformation method for electronic structure calculations
VandeVondele J, Hutter J |
| 4370 - 4385 |
Semiclassical implementation of the mapping Hamiltonian approach for nonadiabatic dynamics using focused initial distribution sampling
Bonella S, Coker DF |
| 4386 - 4403 |
Ab initio three-body interactions for water. I. Potential and structure of water trimer
Mas EM, Bukowski R, Szalewicz K |
| 4404 - 4413 |
Ab initio three-body interactions for water. II. Effects on structure and energetics of liquid
Mas EM, Bukowski R, Szalewicz K |
| 4414 - 4423 |
Multiresolution analysis in statistical mechanics. I. Using wavelets to calculate thermodynamic properties
Ismail AE, Rutledge GC, Stephanopoulos G |
| 4424 - 4431 |
Multiresolution analysis in statistical mechanics. II. The wavelet transform as a basis for Monte Carlo simulations on lattices
Ismail AE, Stephanopoulos G, Rutledge GC |
| 4432 - 4443 |
Multidimensional calculation of time-resolved photoelectron angular distributions: The internal conversion dynamics of pyrazine
Suzuki Y, Stener M, Seideman T |
| 4444 - 4451 |
Ab initio study of the vibronic and spin-orbit structure in the X-2 Pi electronic state of CCCH
Peric M, Mladenovic M, Tomic K, Marian CM |
| 4452 - 4455 |
Dissociation dynamics of the (A)over-tilde(2)A'' state of vinyl radical
Mann AM, Chen X, Lozovsky VA, Moore CB |
| 4456 - 4462 |
Endohedral motions inside capped single-walled carbon nanotubes
Cioslowski J, Rao N, Pernal K, Moncrieff D |
| 4463 - 4470 |
Theoretical study of stereodynamics for the reactions Cl+H-2/HD/D-2
Chen MD, Han KL, Lou NQ |
| 4471 - 4476 |
Potential energy surfaces for the Al+O-2 reaction
Pak MV, Gordon MS |
| 4477 - 4486 |
Experimental and theoretical determination of rotational-translational state-to-state rate constants for N-2 : He collisions at low temperature (3 < T < 20 K)
Mate B, Thibault F, Ramos A, Tejeda G, Fernandez JM, Montero S |
| 4487 - 4498 |
Pulsed field ionization-photoelectron bands for CS2+ in the energy range of 13.2-17.6 eV: An experimental and theoretical study
Liu JB, Hochlaf M, Ng CY |
| 4499 - 4516 |
Four-mode calculation of resonance states of intermediate complexes in the S(N)2 reaction Cl-+CH3Cl'-> ClCH3+Cl'(-)
Schmatz S, Hauschildt J |
| 4517 - 4538 |
The near-threshold absorption spectrum of N-2
Jungen C, Huber KP, Jungen M, Stark G |
| 4539 - 4545 |
Sub-Doppler spectroscopy of the PH radical: Hyperfine structure in the A(3)Pi state
Fitzpatrick JAJ, Chekhlov OV, Western CM, Ashworth SH |
| 4546 - 4555 |
Hydrogen bonding in liquid methanol, methylamine, and methanethiol studied by molecular-dynamics simulations
Kosztolanyi T, Bako I, Palinkas G |
| 4556 - 4562 |
Cascading third-order Raman process studied by six-wave mixing broadband multiplex coherent anti-Stokes Raman scattering spectroscopy
Kano H, Hamaguchi H |
| 4563 - 4572 |
Molecular dynamics study of aqueous solvation dynamics following OClO photoexcitation
Brooksby C, Prezhdo OV, Reid PJ |
| 4573 - 4577 |
Estimation of the degree of hydrogen bonding between quinoline and water by ultraviolet-visible absorbance spectroscopy in sub- and supercritical water
Osada M, Toyoshima K, Mizutani T, Minami K, Watanabe M, Adschiri T, Arai K |
| 4578 - 4582 |
The relative contributions of temperature and volume to structural relaxation of van der Waals molecular liquids
Paluch M, Roland CM, Casalini R, Meier G, Patkowski A |
| 4583 - 4593 |
Energy landscapes of model glasses. II. Results for constant pressure
Middleton TF, Wales DJ |
| 4594 - 4597 |
Effective interaction range in the spin crossover phenomenon: Wajnflasz and domain models
Nishino M, Miyashita S, Boukheddaden K |
| 4598 - 4605 |
Diffusion and reaction for a spherical source and sink
McDonald N, Strieder W |
| 4606 - 4613 |
Dielectric relaxation spectroscopy of 2-propanol-water mixtures
Sato T, Buchner R |
| 4614 - 4619 |
Absence of the rotator phase and evolution of dynamical motions in cluster monolayers
Mukhopadhyay R, Mitra S, Pradeep T, Tsukushi I, Ikeda S |
| 4620 - 4630 |
Multilayer water adsorption on rutile TiO2(110): A first-principles study
Zhang CJ, Lindan PJD |
| 4631 - 4635 |
Self-affine roughness effects on the double-layer charge density and capacitance in the nonlinear regime
Palasantzas G, Backx GMEA |
| 4636 - 4648 |
Molecular dynamics simulations of granular compaction: The single granule case
Sanchez-Castillo FX, Anwar J, Heyes DM |
| 4649 - 4659 |
Theory of polyelectrolyte adsorption on heterogeneously charged surfaces applied to soluble protein-polyelectrolyte complexes
de Vries R, Weinbreck F, de Kruif CG |
| 4660 - 4671 |
Thickness dependent crystallization kinetics of sub-micron amorphous solid water films
Safarik DJ, Meyer RJ, Mullins CB |
| 4672 - 4683 |
Copolymers with designed proteinlike sequences obtained by polymeranalogous transformations of homopolymer globules
Kuchanov SI, Khokhlov AR |
| 4684 - 4691 |
Association in electrolyte solutions: Rodlike polyelectrolytes in multivalent salts
Gonzalez-Mozuelos P, de la Cruz MO |
| 4692 - 4701 |
Ion concentrations and velocity profiles in nanochannel electroosmotic flows
Qiao R, Aluru NR |
| 4702 - 4706 |
Density functional theory for nonuniform polymers: Accurate treatment of the effect of attractive interactions
Patra CN, Yethiraj A |
| 4707 - 4711 |
Study of the energy transfer processes in polyfluorene doped with tetraphenyl porphyrin
Lyons BP, Wong KS, Monkman AP |
| 4712 - 4720 |
The bending rigidity of an amphiphilic bilayer from equilibrium and nonequilibrium molecular dynamics
den Otter WK, Briels WJ |
| 4721 - 4732 |
Monte Carlo simulation of homopolymer chains. I. Second virial coefficient
Withers IM, Dobrynin AV, Berkowitz ML, Rubinstein M |
| 4733 - 4747 |
Correlation between rate of folding, energy landscape, and topology in the folding of a model protein HP-36
Mukherjee A, Bagchi B |
| 4748 - 4753 |
The effect of topological constraint on the theta temperature of a knotted polymer
Sheng YJ, Liao CS |
| 4754 - 4758 |
Resistance proof, folding-inhibitor drugs
Broglia RA, Tiana G, Berera R |
| 4759 - 4765 |
Effective force between confined colloids clothed by end-grafted polymer chains in solution
Benhamou M, Himmi M, Benzouine F |
| 4766 - 4767 |
Comment on "Atomization energies and enthalpies of formation of the SnBin (n=1-3) gaseous molecules by Knudsen cell mass spectrometry" [J. Chem. Phys. 116, 6957 (2002)]
Figgen D, Muller W, Schweizer M, Stoll H, Peterson KA |
| 4768 - 4768 |
Response to "Comment on'Atomization energies and enthalpies of formation of the SnBin (n=1-3) gaseous molecules by Knudsen cell mass spectrometry' " [J. Chem. Phys. 118, 4766 (2003)]
Meloni G, Gingerich KA |
