| 6021 - 6024 |
Construction of an accurate potential energy surface by interpolation with Cartesian weighting coordinates
Rhee YM |
| 6025 - 6028 |
Dielectric relaxation of hot water
Yang CN, Kim HJ |
| 6029 - 6034 |
The role of the local-multiplicative Kohn-Sham potential on the description of occupied and unoccupied orbitals
Garza J, Nichols JA, Dixon DA |
| 6035 - 6041 |
Linear scaling density matrix search based on sign matrices
Nemeth K, Scuseria GE |
| 6042 - 6051 |
Multidimensional replica-exchange method for free-energy calculations
Sugita Y, Kitao A, Okamoto Y |
| 6052 - 6062 |
Spin-contamination of coupled-cluster wave functions
Krylov AI |
| 6063 - 6069 |
Algebraic force-field Hamiltonian expansion approach to linear polyatomic molecules
Sako T, Aoki D, Yamanouchi K, Iachello F |
| 6070 - 6081 |
Theory of solutions in the energetic representation. I. Formulation
Matubayasi N, Nakahara M |
| 6082 - 6087 |
Ab initio group model potentials including electron correlation effects
Hernandez NC, Sanz JF |
| 6088 - 6095 |
Non-Hermitian formulation of interference effect in scattering experiments
Narevicius E, Moiseyev N |
| 6096 - 6106 |
From small to large behavior: The transition from the aromatic to the Peierls regime in carbon rings
Bylaska EJ, Kawai R, Weare JH |
| 6107 - 6112 |
Photodissociation of CF2 = CFCl at 193 nm by translational spectroscopy
Lee YR, Wang LD, Lee YT, Lin SM |
| 6113 - 6121 |
Applying diatomic in molecules in excited electronic state calculations for flexible polyatomic molecules. The I-3 molecule
Margulis CJ, Coker DF |
| 6122 - 6131 |
Ab initio investigations of Li-+nH(2)-> LiH2-(H-2)(n-1), n=1-3
Sharp SB, Gellene GI |
| 6132 - 6138 |
Controlling molecular alignment rephasing through interference of Raman-induced rotational coherence
Hertz E, Faucher O, Lavorel B, Chaux R |
| 6139 - 6148 |
A molecular orbital study on H and H-2 elimination pathways from methane, ethane, and propane
Irle S, Morokuma K |
| 6149 - 6153 |
Direct ab initio dynamics studies of N+H-2 <-> NH+H reaction
Zhang SW, Truong TN |
| 6154 - 6159 |
Positron and positronium chemistry by quantum Monte Carlo. V. The ground state potential energy curve of e(+)LiH
Mella M, Morosi G, Bressanini D, Elli S |
| 6160 - 6168 |
Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters
Lee JY, Kim J, Lee HM, Tarakeshwar P, Kim KS |
| 6169 - 6173 |
Transition probability of Cu I, Ag I, and Au I from weakest bound electron potential model theory
Zheng NW, Wang T, Yang RY |
| 6174 - 6185 |
On the ultraviolet photofragmentation of hydrogen iodide
Alekseyev AB, Liebermann HP, Kokh DB, Buenker RJ |
| 6186 - 6196 |
Quantum scattering calculations of the O(D-1) plus HCl reaction using a new ab initio potential and extensions of J-shifting
Bittererova M, Bowman JM, Peterson K |
| 6197 - 6209 |
Laser control of molecular photodissociation with use of the complete reflection phenomenon
Nagaya K, Teranishi Y, Nakamura H |
| 6210 - 6226 |
State-to-state studies of ground state NH(X (3)Sigma(-),v=0,J,N) plus Ne
Rinnenthal JL, Gericke KH |
| 6227 - 6234 |
Doppler-free UV-visible optical-optical double resonance polarization spectroscopy of the 2 (1)Sigma(+)(u) double minimum state and the C (1)Pi(u) state of Li-2
Kasahara S, Kowalczyk P, Kabir MH, Baba M, Kato H |
| 6235 - 6244 |
Static electric properties of conjugated cyclic ketones and thioketones
Eckart U, Fulscher MP, Serrano-Andres L, Sadlej AJ |
| 6245 - 6252 |
Nature of binding in the alkaline-earth clusters: Be-3, Mg-3, and Ca-3
Kaplan IG, Roszak S, Leszczynski J |
| 6253 - 6263 |
A quasiclassical trajectory study of the H+HCN -> H-2+CN reaction dynamics
Troya D, Banos I, Gonzalez M, Wu GS, ter Horst MA, Schatz GC |
| 6264 - 6275 |
Coarse graining of nonbonded inter-particle potentials using automatic simplex optimization to fit structural properties
Meyer H, Biermann O, Faller R, Reith D, Muller-Plathe F |
| 6276 - 6284 |
Simulations of the nucleation of AgBr from solution
Shore JD, Perchak D, Shnidman Y |
| 6285 - 6287 |
H-1 spin dynamics obtained from off-resonant decoupling in a C-13-NMR signal
Levstein PR, Usaj G, Pastawski HM, Raya J, Hirschinger J |
| 6288 - 6307 |
The ejection distribution of solvated electrons generated by the one-photon photodetachment of aqueous I- and two-photon ionization of the solvent
Kloepfer JA, Vilchiz VH, Lenchenkov VA, Germaine AC, Bradforth SE |
| 6308 - 6315 |
A multiconfiguration self-consistent field/molecular dynamics study of the (n ->pi(*))(1) transition of carbonyl compounds in liquid water
Martin ME, Sanchez ML, del Valle FJO, Aguilar MA |
| 6316 - 6324 |
Restricted primitive model of dianions and counterions within the mean spherical approximation: Integral equation and thermodynamic perturbation theory
von Solms N, Chiew YC |
| 6325 - 6329 |
Correlation between the roughness degree of a protein surface and the mobility of solvent molecules on the surface
Choi JH, Lee S |
| 6330 - 6333 |
Anomalous infrared transmission of adsorbates on ultrathin metal films: Fano effect near the percolation threshold
Krauth O, Fahsold G, Magg N, Pucci A |
| 6334 - 6343 |
Adsorption dynamics of CO on the polar surfaces of ZnO
Becker T, Kunat M, Boas C, Burghaus U, Woll C |
| 6344 - 6350 |
Fast relaxation, boson peak, and anharmonicity in Li2O-B2O3 glasses
Kojima S, Novikov VN, Kodama M |
| 6351 - 6360 |
On the theory of electron transfer reactions at semiconductor/liquid interfaces. II. A free electron model
Gao YQ, Marcus RA |
| 6361 - 6375 |
Growth of organic ultrathin films studied by Penning ionization electron and ultraviolet photoelectron spectroscopies: Pentacene
Ozaki H |
| 6376 - 6381 |
Reorganization of adsorbed films by coadsorbing species
Roke S, Coquel JM, Kleyn AW |
| 6382 - 6389 |
Molecular dynamics study of the solid-liquid interface
Geysermans P, Gorse D, Pontikis V |
| 6390 - 6397 |
Water ordering around methane during hydrate formation
Koh CA, Wisbey RP, Wu XP, Westacott RE, Soper AK |
| 6398 - 6403 |
Vacancy-assisted domain growth in amphiphilic systems: Monte Carlo simulation
Liu J, Ma Y |
| 6404 - 6408 |
Pressure in a micellized solution
de Moraes JNB, Figueiredo W, Henriques VB |
| 6409 - 6422 |
Coarse-grained dynamics of one chain in a polymer melt
Akkermans RLC, Briels WJ |
| 6423 - 6428 |
Block copolymer thin films on corrugated substrates
Podariu I, Chakrabarti A |
| 6429 - 6436 |
Theoretical investigation on dynamics of photopolymerization-induced phase separation and morphology development in nematic liquid crystal/polymer mixtures
Nwabunma D, Chiu HW, Kyu T |
| 6437 - 6442 |
Geometry selects highly designable structures
Shahrezaei V, Ejtehadi MR |
| 6443 - 6448 |
Chaining in magnetic colloids in the presence of flow
Perez-Castillo I, Perez-Madrid A, Rubi JM, Bossis G |
| 6449 - 6450 |
Comment on "A comment on dielectric hole burning" [J. Chem. Phys. 111, 1043 (1999)]
Kircher O, Chamberlin RV, Diezemann G, Bohmer R |
| 6451 - 6452 |
Molecular dynamics study of vibrational energy relaxation of CN- in H2O and D2O solutions: An application of path integral influence functional theory to multiphonon processes (vol 111, pg 5390, 1999)
Shiga M, Okazaki S |
