317 - 324 |
Molecular knife throwing: aiming for dissociation at specific surface sites through state-selection McCormack DA, Kroes GJ, Olsen RA, Groeneveld JA, van Stralen JNP, Baerends EJ, Mowrey RC |
325 - 329 |
Water chemistry at the SnO2(110) surface: the role of inter-molecular interactions and surface geometry Lindan PJD |
330 - 336 |
Oxygen molecules on Ag(001): superstructure, binding site and molecular orientation Messerli S, Schintke S, Morgenstern K, Nieminen J, Schneider WD |
337 - 345 |
Formation and dissociation of protonated pyridine-methanol cluster ions at 355 and 266 nm Hu YJ, Wang XY, Lu RC |
346 - 349 |
A simple route to annihilate defects in silicon nanowires Tang YH, Zheng YF, Lee CS, Lee ST |
350 - 354 |
Effect of ultrafine gold particles and cationic surfactant on burning as-grown single-wall carbon nanotubes Zhang M, Yudasaka M, Nihey F, Iijima S |
355 - 362 |
Orientational melting of two-shell carbon nanoparticles: molecular dynamics study Lozovik YE, Popov AM |
363 - 368 |
In situ Raman and Vis-NIR spectroelectrochemistry at single-walled carbon nanotubes Kavan L, Rapta P, Dunsch L |
369 - 373 |
A simple method for the production of large arrays of aligned carbon nanotubes Rohmund F, Falk LKL, Campbell EEB |
374 - 380 |
Effect of oxidation on single-wall carbon nanotubes Nagasawa S, Yudasaka M, Hirahara K, Ichihashi T, Iijima S |
381 - 386 |
Adsorption and catalytic properties of single-wall carbon nanohorns Nisha JA, Yudasaka M, Bandow S, Kokai F, Takahashi K, Iijima S |
387 - 395 |
Theoretical C-13 NMR spectra of IPR isomers of fullerene C-80: a density functional theory study Sun GY, Kertesz M |
396 - 402 |
The reactions of polycyclic aromatic hydrocarbons with OH Ricca A, Bauschlicher CW |
403 - 408 |
Photoinduced intermolecular electron transfer between oligo(p-phenylene vinylene)s and N-methylfulleropyrrolidine in a polar solvent van Hal PA, Beckers EHA, Peeters E, Apperloo JJ, Janssen RAJ |
409 - 414 |
Growth of hydrogenated silicon cluster ions using an ion trap Hiura H, Kanayama T |
415 - 419 |
Could uranium(XII)hexoxide, UO6 (O-h) exist? Pyykko P, Runeberg N, Straka M, Dyall KG |
420 - 424 |
Distribution of reaction times in diffusion controlled reactions in polymers Srinivas G, Bagchi B |
425 - 430 |
Doppler effect for bound nuclear motion and its manifestation in resonant photoemission of oriented systems Salek P, Gel'mukhanov F, Privalov T, Agren H |
431 - 436 |
A new diagnostic for open-shell coupled-cluster theory Leininger ML, Nielsen IMB, Crawford TD, Janssen CL |
437 - 445 |
Dynamics of excited-state proton transfer from 1-naphthol to urea Htun MT |
446 - 452 |
Static and dynamic polarisabilities, Cauchy coefficients and their anisotropies: an evaluation of DFT functionals Van Caillie C, Amos RD |
453 - 458 |
Two-component coupled-cluster calculations for the hydride of element 111: on the performance of relativistic effective core potentials Han YK, Hirao K |
459 - 468 |
High-order determinantal equation-of-motion coupled-cluster calculations for ionized and electron-attached states Hirata S, Nooijen M, Bartlett RJ |
469 - 472 |
A modified Cashion-Herschbach potential for the H-3 potential energy surface Sachse TI, Tang KT, Toennies JP |
473 - 482 |
Chemically reliable uncontracted Gaussian-type basis sets for atoms H to Lr Koga T, Tatewaki H, Shimazaki T |
483 - 491 |
MCSCF and DFT calculations of EPR parameters of sulfur centered radicals Engstrom M, Vahtras O, Agren H |
492 - 499 |
The facile hydrolysis of chlorine nitrate in aqueous sulfate aerosols McNamara JP, Hillier IH |
500 - 508 |
Dynamics of the Cl+D-2 reaction: a comparison of crossed molecular beam experiments with quasi-classical trajectory calculations on a new ab initio potential energy surface Balucani N, Cartechini L, Casavecchia P, Volpi GG, Aoiz FJ, Banares L, Menendez M, Bian WS, Werner HJ |
509 - 515 |
The molecular structures and conformation of o-selenobenzyl fluoride derivatives, ArSeX (Ar = C6H4CH2F; X = CN, Cl, Me): ab initio and DFT calculations Jeong M, Kwon Y |
516 - 521 |
Semi-classical versus exact eigenvalues of He-benzene using cross-correlation filter-diagonalization Anderson SM, Ka J, Felker PM, Neuhuaser D |