435 - 440 |
The torsional problem of oxalyl chloride: a challenge for theoretical methods Gutierrez-Oliva S, Toro-Labbe A |
441 - 444 |
Synthesis of silicon carbide nanorods by catalyst-assisted pyrolysis of polymeric precursor Yang WY, Miao HZ, Xie ZP, Zhang LG, An LN |
445 - 450 |
Reaction rates of the hydrated electron with N2O in high temperature water and potential surface of the N2O- anion Takahashi KJ, Ohgami S, Koyama Y, Sawamura S, Marin TW, Bartels DM, Jonah CD |
451 - 455 |
Photoinduced electron transfer from N-methylpyrrolidine to ketones and radical addition to an electron-deficient alkene Hoffmann N, Gorner H |
456 - 461 |
Criticality of fluorescence spectra of the nanosized polysilanes oriented in the mesoporous silica Ostapenko N, Telbiz G, Ilyin V, Suto S, Watanabe A |
462 - 468 |
On the nature of the unfolded state: competing mechanisms in the unfolding of anhydrous protein ions Arteca GA, Tapia O |
469 - 474 |
STM study of molecular adsorption on single-wall carbon nanotube surface Ago H, Azumi R, Ohshima S, Zhang YJ, Kataura H, Yumura M |
475 - 480 |
Characterization of single wall carbon nanotubes filled with silver and with chromium compounds Corio P, Santos AP, Santos PS, Temperini MLA, Brar VW, Pimenta MA, Dresselhaus MS |
481 - 485 |
Geminate recombination of hydroxyl radicals generated in 200 nm photodissociation of aqueous hydrogen peroxide Crowell RA, Lian R, Sauer MC, Oulianov DA, Shkrob IA |
486 - 490 |
Spectroscopic investigations of the photo-induced structural transformation of C-60 single crystals under high pressure Mitani T, Matsuishi K, Onari S |
491 - 495 |
Aqueous solvation of charge at hydrophobic liquid surfaces Scatena LF, Richmond GL |
496 - 501 |
The vibrational spectrum of camphor from ab initio and density functional theory and parity violation in the C-C*-CO bending mode Schwerdtfeger P, Kuhn A, Bast R, Laerdahl JK, Faglioni F, Lazzeretti P |
502 - 506 |
Optical properties of titanium oxynitride nanocrystals synthesized via a thermal liquid-solid metathesis reaction Yang XG, Li C, Yang BJ, Wang W, Qian YT |
507 - 511 |
Aromaticity, polarisability and ring current Fowler PW, Soncini A |
512 - 517 |
Narrow spectral holes in a concentrated binuclear chromium(III) compound: studies of the (2)E(4)A(2)<-(4)A(2)(4)A(2) transition in single crystals of [LCr(III)(mu-OH)(3)Cr(III)L](ClO4)(3)center dot H2O (L=1,4,7-trimethyl-1,4,7-triazacyclononane) Riesen H |
518 - 522 |
Cavity ring-down spectroscopy measurements of the concentrations of C-2(X1 Sigma(+)(g)) radicals in a DC arc jet reactor used for chemical vapour deposition of diamond films Rennick CJ, Smith JA, Ashfold MNR, Orr-Ewing AJ |
523 - 527 |
Theoretical analysis of the oxygen insertion process in the oxidation reactions of H2O+H/Si(100) and 2H+H2O/Si(100): a molecular orbital calculation and an analysis of tunneling reaction Watanabe H, Nanbu S, Wang ZH, Maki J, Urisu T, Aoyagi M, Ooi K |
528 - 532 |
Vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: the case of pyrrole and furan Barone V |
533 - 536 |
Caging of phenazine by 4,4'-bis(dimethylamino)diphenylmethane: a comparative study with phenazine-N,N-dimethylaniline Choudhury SD, Basu S |
537 - 543 |
Electrical transmission of molecular bridges Remacle F, Levine RD |
544 - 548 |
Exohedral functionalization of the icosahedral cluster Si20H20: a density functional theory study Pichierri F, Kumar V, Kawazoe Y |
549 - 554 |
Chromic acid evaporation upon exposure of Cr2O3(S) to H2O(g) and O-2(g) - mechanism from first principles Panas I, Svensson JE, Asteman H, Johnson TJR, Johansson LG |
555 - 560 |
Optical properties of zinc phthalocyanine nanoparticle dispersions Nitschke C, O'Flaherty SM, Kroll M, Doyle JJ, Blau WJ |
561 - 565 |
Optimization of extended basis sets and assessment of different theoretical schemes for Pb containing compounds Salpin JY, Tortajada J, Alcami M, Mo O, Yanez M |
566 - 571 |
A circular dichroism and structural study of the inclusion complex artemisinin-beta-cyclodextrin Marconi G, Monti S, Manoli F, Esposti AD, Mayer B |
572 - 576 |
A novel approach to Bi2Te3 nanorods by controlling oriented attachment Deng Y, Nan CW, Guo L |
577 - 583 |
Localized plasmon resonances in inhomogeneous metallic nanoclusters Etchegoin P, Cohen LF, Hartigan H, Brown RJC, Milton MJT, Gallop JC |
584 - 591 |
Hybrid ligand-field theory/quantum chemical calculation of the fine structure and ZFS in lanthanide(III) complexes Borel A, Heim L, Daul CAE |
592 - 600 |
Kinetic study of OH radical reactions with volatile organic compounds using relative rate/discharge fast flow/mass spectrometer technique Li ZJ |
601 - 605 |
Determination of absolute photoionization cross sections for isomers of C3H5: allyl and 2-propenyl radicals Robinson JC, Sveum NE, Neumark DM |
606 - 611 |
Strong hydrogen bonding between neutral noble-gas molecules (HNgF, Ng = Ar, Kr, and Xe) and hydrogen fluoride: a theoretical study Yen SY, Mou CH, Hu WP |
612 - 616 |
Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y Santos JC, Chamorro E, Contreras R, Fuentealba P |
617 - 622 |
Sensors for inorganic vapor detection based on carbon nanotubes and poly(o-anisidine) nanocomposite material Valentini L, Bavastrello V, Stura E, Armentano I, Nicolini C, Kenny JM |