| 9397 - 9402 |
Non-statistical chemical reactions: The isomerization over low barriers in methyl and ethyl cyclohexanones
Baer T, Potts AR |
| 9403 - 9407 |
Decay dynamics of H atoms in solid hydrogen at 4.2 K. Controlling factor of tunneling reaction H+para-H-2 -> para-H-2+H
Miyazaki T, Mori S, Nagasaka T, Kumagai J, Aratono Y, Kumada T |
| 9408 - 9414 |
Tunable photophysical properties of two 2,2'-bipyridine-substituted pyrene derivatives
Soujanya T, Philippon A, Leroy S, Vallier M, Fages F |
| 9415 - 9427 |
Molecular dynamics of monomeric water dissolved in very hydrophobic solvents: the current state of the art of vibrational spectroscopy analyzed from analytical model and MD simulations
Danten Y, Tassaing T, Besnard M |
| 9428 - 9435 |
Infrared chemiluminescence study of the reaction of hydroxyl radical with acetaldehyde and the secondary reactions of acetyl radical with NO2, OH, and H
Butkovskaya NI, Setser DW |
| 9436 - 9442 |
Photodissociation of acetone in air: Dependence on pressure and wavelength. Behavior of the excited singlet state
Emrich M, Warneck P |
| 9443 - 9447 |
Conformational flexibility of the disaccharide alpha-D-Manp-(1 -> 3)-beta-D-Glcp-OMe employing molecular dynamics simulations and trans-glycosidic (3)J(C,H) from NMR experiment
Hoog C, Widmalm G |
| 9448 - 9453 |
Incorporation of thermal rotation of drifting ions into mobility calculations: Drastic effect for heavier buffer gases
Shvartsburg AA, Mashkevich SV, Siu KWM |
| 9454 - 9458 |
Energy transfer in Li*(3p)-H-2 collisions
Bililign S, Hattaway BC, Geum N, Jeung GH |
| 9459 - 9466 |
Photochemical syn-anti isomerization reaction in 1-methyl-N-4-hydroxycytosine. An experimental matrix isolation and theoretical density functional theory study
Stepanenko T, Lapinski L, Sobolewski AL, Nowak MJ, Kierdaszuk B |
| 9467 - 9480 |
Temperature and pressure dependence of line widths and integrated absorption intensities for the O-2 a(1)Delta(g)-X-3 Sigma(-)(g) (0,0) transition
Newman SM, Orr-Ewing AJ, Newnham DA, Ballard J |
| 9481 - 9488 |
NMR paramagnetic relaxation enhancement: ZFS-limit behavior for S=3/2
Miller JC, Abernathy SM, Lohr LL, Sharp RR |
| 9489 - 9493 |
Complete structure of gauche 1,1,2,2-tetrafluoroethane determined by microwave spectroscopy
Mate B, Walker AH, Suenram RD, Craig NC |
| 9494 - 9499 |
Investigation of solvent isotope effects on Raman and fluorescence intensity of LDS750 in CH3OH and CD3OD
Knorr FJ, Wall MH, McHale JL |
| 9500 - 9505 |
Surface-enhanced Raman spectra of phthalimide. Interpretation of the SERS spectra of the surface complex formed on silver islands and colloids
Aroca RF, Clavijo RE, Halls MD, Schlegel HB |
| 9506 - 9511 |
Electronic absorption spectra of HXeCl, HXeBr, HXeI, and HXeCN in Xe matrix
Ahokas J, Vaskonen K, Eloranta J, Kunttu H |
| 9512 - 9517 |
Emission peak shifts of a dipolar solute dissolved in nondipolar solvents: A quantitative measure of quadrupole-dipole interactions in supercritical CO2
Khajehpour M, Kauffman JF |
| 9518 - 9524 |
Magic numbers in silicon dioxide-based clusters
Xu C, Wang WN, Zhang WH, Zhuang J, Liu L, Kong QY, Zhao L, Long YC, Fan KN, Qian SX, Li YF |
| 9525 - 9534 |
Photochemistry of 4-chloroaniline in solution. Formation and kinetic properties of a new carbene, 4-iminocyclohexa-2,5-dienylidene
Othmen K, Boule P, Szczepanik B, Rotkiewicz K, Grabner G |
| 9535 - 9541 |
Theoretical study of the CF2=CH2 -> HF+CF CH reaction
da Silva AM, Arbilla G, da Silva EC |
| 9542 - 9555 |
Molecular dynamics and DFT studies of intermolecular hydrogen bonds between bifunctional heteroazaaromatic molecules and hydroxylic solvents
Kyrychenko A, Stepanenko Y, Waluk J |
| 9556 - 9565 |
Characterization of protonated formamide-containing clusters by infrared spectroscopy and ab initio calculations: I. O-protonation
Wu CC, Jiang JC, Hahndorf I, Chaudhuri C, Lee YT, Chang HC |
| 9566 - 9572 |
Theoretical and experimental characterization of Cr-L multiple bonds (L = O, N, and C)
Wang CC, Tang TH, Wang Y |
| 9573 - 9580 |
How does ammonium interact with aromatic groups? A density functional theory (DFT/B3LYP) investigation
Zhu WL, Tan XJ, Puah CM, Gu JD, Jiang HL, Chen KX, Felder CE, Silman I, Sussman JL |
| 9581 - 9590 |
Structures, rotation barrier, and thermodynamic properties Delta H-f degrees(298), S degrees(298), and C-p(T) of chloromethyl hypochlorites CH3OCl, CH2ClOCl, CHCl2OCl, and CCl3OCl
Jung D, Chen CJ, Bozzelli JW |
| 9591 - 9599 |
Vibronic model Hamiltonian for the study of the near-IR-visible optical properties of [(NH3)(5)Ru-(4,4'-bipyridine)-Ru(NH3)(5)](m+) (m=4, 5): Charge localization and electroabsorption spectra
Ferretti A, Improta R, Lami A, Villani G |
| 9600 - 9604 |
Solvent effects on N-15 NMR shielding of 1,2,4,5-tetrazine and isomeric tetrazoles: Continuous set gauge transformation calculation using the polarizable continuum model
Manalo MN, de Dios AC, Cammi R |
| 9605 - 9612 |
Ab initio investigation of the temporary anion states of perfluoroethane
Falcetta MF, Choi Y, Jordan KD |
| 9613 - 9618 |
Li+ ion affinities of global-warming perfluorocarbons
Arulmozhiraja S, Fujii T |
| 9619 - 9624 |
Acidity of organic molecules in the gas phase and in aqueous solvent
Topol IA, Tawa GJ, Caldwell RA, Eissenstat MA, Burt SK |
| 9625 - 9629 |
Competition between even and odd fullerenes: C-118, C-119, and C-120
Fowler PW, Heine T, Zerbetto F |
| 9630 - 9635 |
Electron density as a descriptor of thermal molecular size
Bentley J |
| 9636 - 9645 |
Ab initio study of the conformational dependence of the nonplanarity of the peptide group
Ramek M, Yu CH, Sakon J, Schafer L |
| 9646 - 9652 |
Formation of intramolecular three-electron-bonded 2 sigma/1 sigma* radical cations upon reduction of dialkylsulfinyl sulfides by H-atoms
Kishore K, Anklam E, Aced A, Asmus KD |
