295 - 299 |
Theoretical study of propene adsorbed on sulphated Pt(111) Valcarcel A, Gil A, Ricart JM, Clotet A |
300 - 306 |
Charge exchange between TiO2 and a polyfunctional chemisorbed molecule - the involvement of electrophilic groups Panayotov DA, Yates JT |
307 - 314 |
An approach to optimised calculations of the potential energy surfaces for the case of electron transfer reactions at a metal/solution interface Bronshtein MD, Nazmutdinov RR, Schmickler W |
315 - 322 |
Semi-analytical hard sphere reference system theory for solvent-mediated potential (III): test and application to system with general interaction potentials Zhou SQ |
323 - 330 |
Universal calculational recipe for the calculation of solvent-mediated potential: (II) based on density functional theory Zhou SQ |
331 - 336 |
Laser spectroscopy of porphycene derivatives: a search for proton tunneling in 2,7,12,17-tetra-tert-butylporphycene Nosenko Y, Jasny J, Pietraszkiewicz M, Mordzinski A |
337 - 341 |
Application of an evaporable fluoro-molecule as an anode buffer layer in organic electroluminescent devices Gao DQ, Chan MY, Tong SW, Wong FL, Lai SL, Lee CS, Lee ST |
342 - 348 |
Large gain in translational entropy of water is a major driving force in protein folding Harano Y, Kinoshita M |
349 - 353 |
Preparation and photoelectron spectrum of the'missing' (H2O)(-)(4) cluster Shin JW, Hammer NI, Headrick JM, Johnson MA |
354 - 358 |
'Spillout' effect in gold nanoclusters embedded in c-Al2O3(0001)matrix Dhara S, Sundaravel B, Ravindran TR, Nair KGM, David C, Panigrahi BK, Magudapathy P, Chen KH |
359 - 362 |
PITANSEMA, a low-power PISEMA solid-state NMR experiment Lee DK, Narasimhaswamy T, Ramamoorthy A |
363 - 367 |
Quantum Similarity of atoms: a numerical Hartree-Fock and information theory approach Borgoo A, Godefroid M, Sen KD, De Proft F, Geerlings P |
368 - 372 |
Laser-induced ion emission during polymer deposition from a flash-frozen water ice matrix Rodrigo K, Toftmann B, Schou J, Pedrys R |
373 - 377 |
An STM study on the growth process of vapor-deposited hydroquinone adlayers on Rh(111) and Pt(111) Inukai J, Wakisaka M, Itaya K |
378 - 383 |
Formation of benzene trimer radical cation in gamma-irradiated low temperature 2-methylpentane matrices Todo M, Okamoto K, Seki S, Tagawa S |
384 - 388 |
Influence of shape anisotropy on photoluminescence characteristics in LaPO4 : Eu nanowires Yu LX, Song HW, Lu SZ, Liu ZX, Yang LM |
389 - 391 |
Probing structural transitions of nanosize silicon clusters via anion photoelectron spectroscopy at 7.9 eV Meloni G, Ferguson MJ, Sheehan SM, Neumark DM |
392 - 395 |
Spectroscopy of mass-selected TiCu3 in argon matrices Zhao B, Lu HY, Likhtina I, Lombardi JR |
396 - 400 |
Basin hopping with occasional jumping Iwamatsu M, Okabe Y |
401 - 405 |
Solid state studies on C-60 solvates formed with n-alcanes: orthorhombic C-60 center dot 2/3 n-nonane Ceolin R, Lopez DO, Barrio M, Tamarit JL, Espeau P, Nicolai B, Allouchi H, Papoular R |
406 - 411 |
CH+ potential energy curves and photodissociation cross-section Barinovs G, van Hemert MC |
412 - 416 |
Electronic spectroscopy of benzene-water cluster cations, [C6H6-(H2O)(n)](+) (n=1-4): spectroscopic evidence for phenyl radical formation through size-dependent intracluster proton transfer reactions Miyazaki M, Fujii A, Ebata T, Mikami N |
417 - 421 |
On the optimal value of alpha for the Hartree-Fock-Slater method Zope RR, Dunlap BI |
422 - 425 |
Selective growth of vertically aligned carbon nanotubes on nickel oxide nanostructures created by atomic force microscope nano-oxidation Lin HN, Chang YH, Yen JH, Hsu JH, Leu IC, Hon MH |
426 - 432 |
Experimental and theoretical study of resonant Auger decay of core-excited NO2 Piancastelli MN, Carravetta C, Hjelte I, De Fanis A, Okada K, Saito N, Kitajima M, Tanaka H, Ueda K |
433 - 439 |
The calculation of ESR parameters by density functional theory: the g-and A-tensors of Co(acacen) Atanasov M, Baerends EJ, Baettig P, Bruyndonckx R, Daul C, Rauzy C, Zbiri M |
440 - 445 |
Atomic force microscopic and theoretical studies of poly-ubiquitin proteins Yeh YL, Chang CH, Liang KK, Shiu YJ, Su C, Hayashi M, Chyan CL, Yang G, Mo Y, Yan YJ, Lin SH |
446 - 450 |
Near-infrared emission from tris(8-hydroxyquinoline) aluminum based microcavity light emitting diodes Djurisic AB, Kwong CY, Cheung CH, Tam HL, Cheah KW, Liu ZT, Chan WK, Chui PC |
451 - 455 |
Plasma induced sp(2) to sp(3) transition in boron nitride Zhang J, Cui Q, Li X, He Z, Li W, Ma Y, Guan Q, Gao W, Zou G |
456 - 460 |
A novel nuclear spin-lattice relaxation filter for separating the free and absorbed water in a matrix of titanate nanotubes Tang XP, Chartkunchand KC, Wu Y |
461 - 464 |
Ethanol sensor based on indium oxide nanowires prepared by carbothermal reduction reaction Chu XF, Wang CH, Jiang DL, Zheng CM |
465 - 470 |
Ionic fragmentation versus electron detachment in isolated transition metal complex dianions Boxford WE, Pearce JK, Dessent CEH |
471 - 474 |
Evolution of water structure in biopolymer solutions during the gelation process Gadomski W, Ratajska-Gadomska B |
475 - 479 |
ScF2+ and ScHe3+: two highly-charged episodes from the gas-phase adventures of scandium Petrie S |
480 - 483 |
Correlation energies for the He isoelectronic sequence with Z=1-120 from the third-order Douglas-Kroll Hamiltonian Tatewaki H, Noro T |
484 - 489 |
Vibrational excitation after ultrafast intramolecular proton transfer of TINUVIN: a time-resolved resonance Raman study Kozich V, Dreyer J, Werncke W |
490 - 495 |
Ultraviolet absorption cross-sections of hot carbon dioxide Oehlschlaeger MA, Davidson DF, Jeffries JB, Hanson RK |
496 - 502 |
Effect of proline kinks on the mechanical unfolding of alpha-helices Arteca GA, Li ZY |
503 - 505 |
The BEBO calculation of resonance energies of fullerene cages Hu YH, Ruckenstein E |
506 - 511 |
Hypocycloidal resonance attractor for rigidly rotating spiral waves Kheowan OU, Uthaisar C, Kantrasiri S, Muller SC |
512 - 515 |
Photo sensitization of ion-exchangeable titanate nanotubes by CdS nanoparticles Hodos M, Horvath E, Haspel H, Kukovecz A, Konya Z, Kiricsi I |
516 - 521 |
A systematic study of the effect of correlation, DFT functional and basis set on the structure of Roesky's ketone Van Droogenbroeck J, Tersago K, Van Alsenoy C, Blockhuys F |
522 - 526 |
Temperature-dependent growth mode and photoluminescence properties of ZnO nanostructures Zhao DX, Andreazza C, Andreazza P, Ma JG, Liu YC, Shen DZ |
527 - 533 |
A QCT study of the cross-section, energy and angular distributions of the OH+D-2 -> HOD+D reaction at E-T=0.28 eV on the YZCL2 surface Sierra JD, Enriquez PA, Troya D, Gonzalez M |
534 - 538 |
Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy Coutinho K, Cabral BJC, Canuto S |