195 - 201 |
Triplet formation and decay in conjugated polymer devices Dhoot AS, Ginger DS, Beljonne D, Shuai Z, Greenham NC |
202 - 208 |
Low-temperature adsorption of CO on Cu(111) studied by RAIRS Eve JK, McCash EM |
209 - 216 |
Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functional Tran F, Wesolowski TA |
217 - 222 |
Crystal chirality of the non-chiral inorganic salt, alpha-Ni(H2O)(6)center dot SO4 Harada T, Shindo Y, Kuroda R |
223 - 228 |
Spin-orbit coupling with model core potentials Fedorov DG, Klobukowski M |
229 - 234 |
Low-temperature synthesis of high-purity single-walled carbon nanotubes from alcohol Maruyama S, Kojima R, Miyauchi Y, Chiashi S, Kohno M |
235 - 239 |
Ionization and structural determination of the major isomer of Pr@C-82 Wakahara T, Okubo S, Kondo M, Maeda Y, Akasaka T, Waelchli M, Kako M, Kobayashi K, Nagase S, Kato T, Yamamoto K, Gao X, Van Caemelbecke E, Kadish KM |
240 - 242 |
Non-adiabatic couplings in Liouville description of mixed quantum-classical dynamics Ando K |
243 - 249 |
Gauge transformation to study electronic non-adiabatic coupling terms in molecular systems Baer M |
250 - 255 |
Catalyst effect on carbon nanotubes synthesized by thermal chemical vapor deposition Lee CJ, Park J, Yu JA |
256 - 263 |
An approach to estimate the energy of the intramolecular hydrogen bond Lipkowski P, Koll A, Karpfen A, Wolschann P |
264 - 271 |
Theoretical study of thiol-induced reconstructions on the Au(111) surface Molina LM, Hammer B |
272 - 282 |
The spin-spin coupling constants in the ammonia dimer Pecul M, Sadlej J |
283 - 288 |
Density functional investigation on the cycloreversion of cyclobutane radical cation: new reaction mechanism Qu ZW, Zhu H, Zhang XD, Ai XC, Zhang JP, Zhang XK, Zhang QY |
289 - 293 |
Chemical oscillations induced by flow transports Wang JC |
294 - 303 |
Generation and characterization of ionic and neutral silicon dihydroxide Si(OH)(2)(+center dot/0) and silanoic acid HSi(O)OH+center dot/0 in the gas phase by tandem mass spectrometry and computational chemistry Srikanth R, Bhanuprakash K, Srinivas R |
304 - 312 |
A LAGROBO strategy to fit potential energy surfaces: the OH+HC1 reaction Rodriguez A, Garcia E, Hernandez ML, Lagana A |
313 - 319 |
Kinetics and thermodynamics of the Al plus trimethylaluminum reaction Parker JK, Nelson HH |
320 - 324 |
Influence of nonadiabatic coupling on oscillatory dephasing Lavoine JP, Boeglin AJ |
325 - 332 |
The effect of a dielectric core and embedding medium on the polarizability of metallic nanoshells Prodan E, Lee A, Nordlander P |
333 - 339 |
Solvent controlled charge transfer dynamics on diabatic surfaces with different curvatures Casado-Pascual J, Goychuk I, Morillo M, Hanggi P |
340 - 348 |
Ab initio study of molecular surface electrostatic potential of hydrogen fluoride clusters (HF)(n), (n=2-15) Abu-Awwad FM |
349 - 354 |
Ab initio study of the minimum-energy structure of trans-azobenzene Kurita N, Ikegami T, Ishikawa Y |
355 - 358 |
A template-free method for hollow Ag2S semiconductor with a novel quasi-network microstructure Lu QY, Gao F, Zhao DY |
359 - 366 |
Theoretical studies of the solvent decomposition by lithium atoms in lithium-ion battery electrolyte Han YK, Lee SU, Ok JH, Cho JJ, Kim HJ |
367 - 373 |
Determination of the ionic and neutral chemical components of a H2O microwave discharge plasma Fujii T, Selvin PC, Iwase K |
374 - 381 |
Short-time calculations of resonant tunneling probabilities by the flux-averaging method Berman LH, Peskin U |
382 - 389 |
Ionisation and fragmentation of polycyclic aromatic hydrocarbons by femtosecond laser pulses at wavelengths resonant with cation transitions Robson L, Ledingham KWD, Tasker AD, McKenna P, McCanny T, Kosmidis C, Jaroszynski DA, Jones DR, Issac RC, Jamieson S |
390 - 399 |
Six-dimensional quantum dynamics of scattering of (v=0,j=0) H-2 and D-2 from Cu(111): test of two LEPS potential energy surfaces Somers MF, Kingma SM, Pijper E, Kroes GJ, Lemoine D |
400 - 405 |
A theoretical study of low-lying singlet electronic states of SF2 Liu YJ, Huang MB |
406 - 413 |
Photoionization of DABCO via high vibrational levels of the S-1 state Pratt ST |