| 1201 - 1202 |
Chemical dynamics simulations in the gas phase and on complex surfaces - A tribute to William Hase
Rodgers MT, Liu GY |
| 1203 - 1215 |
Autobiography of William Hase
Hase W |
| 1216 - 1224 |
Diels-Alder reactions of cyclopentadiene and 9,10-dimethylanthracene with cyanoalkenes: The performance of density functional theory and Hartree-Fock calculations for the prediction of substituent effects
Jones GO, Guner VA, Houk KN |
| 1225 - 1231 |
Quasiclassical trajectory study of the collision-induced dissociation dynamics of Ar+CH3SH+ using an ab initio interpolated potential energy surface
Martinez-Nunez E, Vazquez SA, Aoiz FJ, Castillo JF |
| 1232 - 1241 |
Gas-phase reactions of carbon dioxide with atomic transition-metal and main-group cations: Room-temperature kinetics and periodicities in reactivity
Koyanagi GK, Bohme DK |
| 1242 - 1260 |
Guided-ion beam and theoretical study of the potential energy surface for activation of methane by W+
Armentrout PB, Shin S, Liyanage R |
| 1261 - 1266 |
Simulating electron transfer attachment to a positively charged model peptide
Anusiewicz I, Berdys-Kochanska J, Skurski P, Simons J |
| 1267 - 1277 |
Quasiclassical trajectory Simulations of OH(v)+NO2 -> HONO2* -> OH(v')+NO2: Capture and vibrational deactivation rate constants
Liu Y, Lohr LL, Barker JR |
| 1278 - 1287 |
State-selective preparation of NO2+ and the effects of NO2+ vibrational mode on charge transfer with NO
Uselman B, Liu JB, Boyle J, Anderson S |
| 1288 - 1294 |
Stopped-flow kinetics of tetrazine cycloadditions; Experimental and computational studies toward sequential transition states
Sadasivam DV, Prasad E, Flowers RA, Birney DM |
| 1295 - 1304 |
Coordinate covalent C -> B bonding in phenylborates and latent formation of phenyl anions from phenylboronic acid
Glaser R, Knotts N |
| 1305 - 1318 |
Optical excitations in carbon architectures based on dodecadehydrotribenzo[18]annulene
Anand S, Varnavski O, Marsden JA, Haley MM, Schlegel HB, Goodson T |
| 1319 - 1326 |
Theoretical study of the effect of surface density on the dynamics of Ar plus alkanethiolate self-assembled monolayer collisions
Day BS, Morris JR, Alexander WA, Troya D |
| 1327 - 1341 |
Experimental and theoretical investigations of the inelastic and reactive scattering dynamics of O(P-3)+D-2
Garton DJ, Brunsvold AL, Minton TK, Troya D, Maiti B, Schatz GC |
| 1342 - 1349 |
Collision-induced dissociation of HS-(HCN): Unsymmetrical hydrogen bonding in a proton-bound dimer anion
Akin FA, Ervin KM |
| 1350 - 1363 |
Gas phase S(N)2 reactions of halide ions with trifluoromethyl halides: Front- and back-side attack vs. complex formation
Bogdanov B, McMahon TB |
| 1364 - 1374 |
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces: Coumarin 343 at titanium oxide
Kondov I, Thoss M, Wang HB |
| 1375 - 1381 |
Molecular determinants for binding of ammonium ion in the ammonia transporter AmtB - A quantum chemical analysis
Liu YM, Hu XH |
| 1382 - 1388 |
Measuring the size dependence of Young's modulus using force modulation atomic force microscopy
Price WJ, Leigh SA, Hsu SM, Patten TE, Liu GY |
| 1389 - 1392 |
Sputtering of water ice induced by C-60 bombardment: Onset of plume formation
Wojciechowski IA, Garrison BJ |
| 1393 - 1407 |
Insight into selected reactions in low-temperature dimethyl ether combustion from Born-Oppenheimer molecular dynamics
Andersen A, Carter EA |
| 1408 - 1415 |
Reaction of 5-40 eV ions with self-assembled monolayers
Qin XD, Tzvetkov T, Jacobs DC |
| 1416 - 1425 |
Do B3LYP and CCSD(T) predict different hydrosilylation mechanisms? Influences of theoretical methods and basis sets on relative energies in ruthenium-silylene-catalyzed ethylene hydrosilylation
Beddie C, Hall MB |
| 1426 - 1437 |
Sodium cation affinities of MALDI matrices determined by guided ion beam tandem mass spectrometry: Application to benzoic acid derivatives
Chinthaka SDM, Chu Y, Rannulu NS, Rodgers MT |
| 1438 - 1454 |
Nonadiabatic trajectory studies of NaI(H2O)(n) photodissociation dynamics
Koch DM, Timerghazin QK, Peslherbe GH, Ladanyi BM, Hynes JT |
| 1455 - 1468 |
Influence of Thioketo substitution on the properties of uracil and its noncovalent interactions with alkali metal ions: Threshold collision-induced dissociation and theoretical studies
Yang ZB, Rodgers MT |
| 1469 - 1477 |
Experiments and simulations of hyperthermal Xe interacting with an ordered 1-decanethiol/Au(111) monolayer: Penetration followed by high-energy, directed ejection
Gibson KD, Isa N, Sibener SJ |
| 1478 - 1483 |
High resolution electronic spectra of anisole and anisole-water in the gas phase: Hydrogen bond switching in the S-1 state
Ribblett JW, Sinclair WE, Borst DR, Yi JT, Pratt DW |
| 1484 - 1490 |
Comparison of levels of electronic structure theory in direct dynamics Simulations of C2H5F -> HF+C2H4 product energy partitioning
Dong EJ, Setser DW, Hase WL, Song K |
| 1491 - 1499 |
On the model dependence of kinetic shifts in unimolecular reactions: The dissociation of the cations of benzene and n-butylbenzene
Troe J, Ushakov VG, Viggiano AA |
| 1500 - 1505 |
Laser ablation of imidazolium based ionic liquids
Dessiaterik Y, Baer T, Miller RE |
| 1506 - 1517 |
Rate constants and kinetic isotope effects for unimolecular 1,2-HX or DX (X = F or Cl) elimination from chemically activated CF3CFClCH3-d(0), -d(1), -d(2), and -d(3)
Zhu L, Simmons JG, Burgin MO, Setser DW, Holmes BE |
| 1518 - 1523 |
Molecular dynamics simulations of the melting of aluminum nanoparticles
Alavi S, Thompson DL |
| 1524 - 1533 |
Rotating-top approximation in reduced-dimensionality quantum calculations of rate constants: Application to complex-forming nucleophilic substitution
Hennig C, Schmatz S |
| 1534 - 1540 |
Quantum mechanical rate constants for H+O-2 <-> O+OH and H+O-2 -> HO2 reactions
Lin SY, Rackham EJ, Guo H |
| 1541 - 1551 |
Energy transfer between polyatomic molecules II: Energy transfer quantities and probability density functions in benzene, toluene, p-xylene, and azulene collisions
Bernshtein V, Oref I |
| 1552 - 1560 |
Validity of phase space theory for atom-diatom insertion reactions
Larregaray P, Bonnet L, Rayez JC |
| 1561 - 1568 |
Temperature measurement from the translational kinetic energy release distribution in cluster dissociation: A theoretical investigation
Calvo F, Parneix P, Gadea FX |
| 1569 - 1574 |
An ab initio based global potential energy surface describing CH5+ -> CH3++H-2
Jin Z, Braams BJ, Bowman JM |
| 1575 - 1585 |
Thermochemistry of the fluoroformyloxyl radical: A computational study based on coupled cluster theory
Breidung J, Thiel W |
| 1586 - 1593 |
Adiabatic passage by light-induced potentials in polyatomic molecules
Gonzalez-Vazquez J, Sola IR, Santamaria J |
| 1594 - 1599 |
Thermal lens spectroscopy in liquid argon solutions: (Delta v=6) C-H vibrational overtone absorption of methane
Navea JG, Lopez-Calvo A, Manzanares CE |
| 1600 - 1607 |
Isoelectronic homologues and isomers: Tropolone, 5-azatropolone, 1-H-azepine-4,5-dione, saddle points, and ions
Redington RL |
| 1608 - 1617 |
Dynamical study of H-2 and D-2 desorbing from a Cu(111) surface
Perrier A, Bonnet L, Rayez JC |
| 1618 - 1624 |
Morphology of polythiophene and polyphenyl films produced via surface polymerization by ion-assisted deposition
Tepavcevic S, Zachary AM, Wroble AT, Choi Y, Hanley L |
| 1625 - 1634 |
Unimolecular dissociation of the CH3OCO radical: An intermediate in the CH3O+COreaction
McCunn LR, Lau KC, Krisch MJ, Butler LJ, Tsung JW, Lin JJ |
| 1635 - 1644 |
Dynamics of swelling/contracting hard spheres surmised by an irreversible Langevin equation
Popov AV, Melvin J, Hernandez R |
| 1645 - 1649 |
Dynamics of HCl collisions with hydroxyl- and methyl-terminated self-assembled monolayers
Lohr JR, Day BS, Morris JR |
| 1650 - 1657 |
Doubly protonated benzene in the gas phase
Roithova J, Schroder D, Berger R, Schwarz H |
| 1658 - 1665 |
On the statistical nature of collision and surface-induced dissociation: A theoretical investigation of aluminum clusters
Larregaray P, Peslherbe GH |
| 1666 - 1671 |
A quantum wave packet dynamics study of the N(D-2)+H-2 reaction
Chu TS, Han KL, Varandas AJC |
| 1672 - 1677 |
Ab initio kinetics for the unimolecular reaction C6H5OH -> CO+C5H6
Xu ZF, Lin MC |
| 1678 - 1687 |
Soft-landing of peptides onto self-assembled monolayer surfaces
Alvarez J, Futrell JH, Laskin J |
