383 - 390 |
Studies of the dynamics around the O-O bond: Orthogonal local modes of hydrogen peroxide Maciel GS, Bitencourt ACP, Ragni M, Aquilanti V |
391 - 397 |
Theoretical investigation of the mechanism of the reaction IO+NO -> I+NO2 Papayannis DK, Kosmas AM |
398 - 402 |
Double photoionization of N2O molecules in the 28-40 eV energy range Alagia M, Candori P, Falcinelli S, Lavollee M, Pirani F, Richter R, StrangeS S, Vecchiocattivi F |
403 - 408 |
Energetic, structural, and kinetic characterization of the hydrogen abstraction reaction N(S-4)+CH4 -> NH(X-3 Sigma(-))+CH3 Roberto-Neto O, Ornellas FR, Machado FBC |
409 - 413 |
Spectral shifts of ozone molecule by the complex formation with a water molecule Tachikawa H, Abe S |
414 - 420 |
Conformational changes of the electrostatic potential of biphenyl: A theoretical study Pacios LF, Gomez L |
421 - 425 |
Picosecond time-resolved study on the intramolecular vibrational energy redistribution of NH stretching vibration of jet-cooled aniline and its isotopomer Yamada Y, Okano J, Mikami N, Ebata T |
426 - 430 |
Effects of atom pairs O and S on the stability of zwitterionic tetrahedral intermediate: A theoretical study Sung DD, Koo IS, Yang K, Lee I |
431 - 435 |
Chlorine adsorption induced structure and energetics change of vinyl chloride physisorbed on Ag(111) Pursell DP, Vohs JM, Dai HL |
436 - 440 |
Direct fluorescence lifetime measurement of excited radical cation of 1,3,5-trimethoxybenzene by ns-ps two-color two-laser flash photolysis Cai XC, Sakamoto M, Fujitsuka M, Majima T |
441 - 445 |
Free carrier photogeneration in polythiophene versus poly(phenylene vinylene) studied with THz spectroscopy Hendry E, Koeberg M, Schins JM, Siebbeles LDA, Bonn M |
446 - 451 |
Infrared spectrum of 2-hydroxyphenoxyl radical and photoisomerization between trans and cis 2-hydroxyphenyl nitrites Nagaya M, Kudoh S, Nakata M |
452 - 456 |
Ferntosecond fluorescence dynamics of zinc biphenylporphine in nanocrystalline TiO2 films: Evidence for interfacial electron transfer through space Luo LY, Chang CW, Lin CY, Diau EWG |
457 - 461 |
Instabilities in networks of reactors coupled by photochemical feedback Horsthemke W, Zachary CE, Moore PK |
462 - 467 |
The amorphous analogs of the crystalline monohydrate of HCl: Structures and spectra Devlin JP, Buch V, Mohamed F, Parrinello M |
468 - 472 |
Room temperature ferromagnetism of Co-doped TiO2 nanotube arrays prepared by sol-gel template synthesis Huang CM, Liu XQ, Liu YP, Wang YY |
473 - 479 |
Second hyperpolarizabilities (gamma) of open-shell singlet one-dimensional systems: Intersite interaction effects on the average diradical character and size dependences of gamma Nakano M, Takebe A, Kishi R, Ohta S, Nate M, Kubo T, Kamada K, Ohta K, Champagne B, Botek E, Takahashi H, Furukawa S, Morita Y, Nakasuji K |
480 - 485 |
Control of multiwall carbon nanotubes dispersion in polyamide6 matrix: An assessment through electrical conductivity Kodgire PV, Bhattacharyya AR, Bose S, Gupta N, Kulkarni AR, Misra A |
486 - 490 |
Unexpected binding mode of gemini surfactants and gamma-cyclodextrin: DOSY as a tool for the study of complexation Guerrero-Martinez A, Palafox MA, Tardajos G |
491 - 496 |
Rapid synthesis of small silver nanocubes by mediating polyol reduction with a trace amount of sodium sulfide or sodium hydrosulfide Siekkinen AR, McLellan JM, Chen JY, Xia YN |
497 - 501 |
Optical nonlinearities of C-84 fullerenes Xenogiannopoulou E, Aloukos P, Couris S |
502 - 507 |
Origin of chiral discrimination by a two-dimensionally chiral self-assembled monolayer: A quantum chemical study Nishikawa T, Torimoto T, Nakanishi T, Osaka T, Ohtani B |
508 - 512 |
Synthesis and photoluminescence study of nanostructured sol-gel Mn(II) doped indium tin oxide films on silica glass Kundu S, Biswas PK |
513 - 517 |
Novel synthesis and optical properties of Sm3+ doped Au- polyvinyl alcohol nanocomposite films Karthikeyan B |
518 - 522 |
Adsorption properties of N-2, H-2 on single-walled carbon nanotubes modified by KOH Lee SM, Park SH, Lee SC, Kim HJ |
523 - 527 |
The effects of a pyrrolidine functional group on the magnetic properties of N@C-60 Zhang JY, Morton JJL, Sambrook MR, Porfyrakis K, Ardavan A, Briggs GAD |
528 - 532 |
Metal-enhanced S-2 fluorescence from azulene Zhang YX, Aslan K, Previte MJR, Geddes CD |
533 - 537 |
Energy transfer pathways relevant for long-range intramolecular signaling of photosensory protein revealed by microscopic energy conductivity analysis Ishikura T, Yamato T |
538 - 544 |
A DFT study of hydration in neutral and zwitterionic norfloxacin Vitorino GP, Barrera GD, Mazzieri MR, Binning RC, Bacelo DE |
545 - 547 |
Deprotonation of Glu234 during the photocycle of Natronomonas pharaonis halorhodopsin Shibata M, Saito Y, Demura M, Kandori H |
548 - 552 |
Computer simulation of magnetic properties of human blood Cano ME, Gil-Villegas A, Sosa MA, Villagomez JC, Baffa O |
553 - 557 |
Development of new apertureless near-field scanning optical microscope tip using finite-differential time-domain calculation Kodama T, Ohtani H |
558 - 563 |
Gaussian basis sets of 5 zeta valence quality for correlated wave functions Jorge FE, Sagrillo PS, de Oliveira AR |
564 - 565 |
Comment on'Enhancement of carrier mobility in MEH-PPV film prepared under presence of electric field' by Quanmin Shi [Chem. Phys. Lett. 425 (2006) 353] Lim TL, Chang CW, Inigo AR, Huang YF, White JD, Fann W |
566 - 571 |
Density functional theory study of the B-10, B-10(-) and B-10(+) clusters and their sandwich-type metal compounds Zhao YY, Zhang MY, Xu SH, Sun CC |
572 - 578 |
Truncated dipolar recoupling in solid-state nuclear magnetic resonance Marin-Montesinos I, Mollica G, Carravetta M, Gansmuller A, Pilelo G, Bechmann M, Sebald A, Levitt MH |
579 - 584 |
Influence of nuclear fluctuations on the NMR parameters of bullvalene: A Feynman path integral - Ab initio study Schulte J, Ramirez R, Bohm MC |
585 - 590 |
Real time mixed quantum-classical dynamics with ab initio quartic force field: Application to molecular vibrational frequency analysis Miyachi H, Shigeta Y, Hirao K |
591 - 594 |
Determination of the chemical potential and HOMO/LUMO orbitals in density purification methods Rubensson EH, Jensen HJA |
595 - 599 |
An integral equation theory for 3D solvation structure: A new procedure free from 3D Fourier transform Yokogawa D, Sato H, Sakaki S |
600 - 603 |
Van der Waals interactions from the exchange hole dipole moment: Application to bio-organic benchmark systems Johnson ER, Becke AD |
604 - 609 |
Direct quantum dynamics using variational multi-configuration Gaussian wavepackets Lasorne B, Bearpark MJ, Robb MA, Worth GA |
610 - 615 |
Surface plasmon coupled phosphorescence (SPCP) Previte MJR, Aslan K, Zhang YX, Geddes CD |
616 - 622 |
Dissection of methyl internal rotational barrier in thioacetone Chakraborty A, De R, Guchhait N |
623 - 628 |
Chaotic motion in bending induced intramolecular transition: A case study of HCN, HNC and the transition state Ou SC, Wu GZ, Wang PJ |