171 - 175 |
Quantifying electron delocalization in orthogonal channels: Theoretical investigation of sigma and pi aromaticity in [C6I6](2+) and [C6Cl6](2+) Ciofini I, Laine PP, Adamo C |
176 - 181 |
Ab initio and RRKM study of the elimination of HF and HCl from chlorofluoroethylene Tarrazo-Antelo T, Martinez-Nunez E, Vazquez SA |
182 - 187 |
Symmetry and vibrationally resolved absorption spectra near the OK edge of N2O: Experiment and theory Tanaka T, Ueda K, Feifel R, Karlsson L, Tanaka H, Hoshino M, Kitajima M, Ehara M, Fukuda R, Tamaki R, Nakatsuji H |
188 - 193 |
Quantum and quasiclassical state-selected O(D-1)+HF reaction dynamics and kinetics on a new MRCI ground singlet potential energy surface Gomez-Carrasco S, Hernandez ML, Alvarino JM |
194 - 200 |
Kinetics of the formation reactions of trichloro- and tribromomethyl hypohalites and alcohols in the gas-phase: Theoretical study Brudnik K, Jodkowski JT, Nowek A, Leszczynski J |
201 - 207 |
Hydrogen-bond strengths in large complexes: Efficient calculations using locally dense basis sets Johnson ER, Mckay DJJ, DiLabio GA |
208 - 213 |
B-2 Sigma(+)-X-2 Sigma(+) and (CII)-I-2-X-2 Sigma(+) transitions in InF+: A configuration interaction study Banerjee A, Pramanik A, Das KK |
214 - 218 |
Site selective dissociation upon core ionization of ozone Mocellin A, Wiesner K, Sorensen SL, Miron C, Le Guen K, Ceolin D, Simon M, Morin P, Machado AB, Bjorneholm O, de Brito AN |
219 - 223 |
H2O2+ ions in ionized O-2/CH4 mixtures: Intermediacy of CH3OOH+ and CH2O+ de Petris G, Garzoli S, Troiani A |
224 - 229 |
Vibronic spectra of the lower excited singlet states of styrene: A Time Dependent Density Functional Theory study de Groot M, Buma WJ |
230 - 235 |
Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water Giardini A, Rondino F, Cattenacci G, Paladini A, Piccirillo S, Satta M, Speranza M |
236 - 241 |
Predictions of absorption bands for RbCs on helium clusters Beuc R, Movre M, Horvatic B, Pichler G |
242 - 246 |
(2+1)REMPI on molecular nitrogen through the 1 Sigma(+)(g)(II)-state Bominaar J, Schoemaecker C, Dam N, Ter Meulen JJ, Groenenboom GC |
247 - 251 |
Infrared spectra of C2H2 under jet-cooled and para-H-2 matrix conditions Lee YC, Venkatesan V, Lee YP, Macko P, Didiriche K, Herman M |
252 - 256 |
Energy transfer and light yield properties of a new highly loaded indium(III) beta-diketonate organic scintillator system Buck C, Hartmann FX, Motta D, Schoenert S |
257 - 262 |
On the geometries and UV/Vis spectra of substituted trans-azobenzenes Briquet L, Vercauteren DP, Andre JM, Perpete EA, Jacquemin D |
263 - 267 |
Dynamic scaling and background relaxation in the ultrasonic spectra of the ethanol-dodecane critical mixture Mirzaev SZ, Iwanowski I, Kaatze U |
268 - 272 |
Molecular model for formic acid adjusted to vapor-liquid equilibria Schnabel T, Cortada M, Vrabec J, Lago S, Hasse H |
273 - 277 |
Electron-nuclear double-resonance observation of spatial extent of polarons in polythiophene and poly(3-alkylthiophene) Kuroda S, Marumoto K, Sakanaka T, Takeuchi N, Shimoi Y, Abe S, Kokubo H, Yamamoto T |
278 - 282 |
Irreversible isomerization of the azobenzene derivate Methyl Orange on Au(111) Henzl J, Bredow T, Morgenstern K |
283 - 288 |
Photophysical properties of 2-picolinoylpyrrole boron complex in solutions Ito F, Nagai T, Ono Y, Yamaguchi K, Furuta H, Nagamura T |
289 - 294 |
Electron irradiation of crystalline and amorphous D2O ice Zheng WJ, Jewitt D, Kaiser RI |
295 - 300 |
Influence of charge state on the reaction of FeO3+/- with carbon monoxide Reilly NM, Reveles JU, Johnson GE, Khanna SN, Castleman AW |
301 - 305 |
Luminescence properties of new Ca-10(Si2O7)(3)Cl-2 : Eu2+ phosphor Ding WJ, Wang J, Zhang M, Zhang QH, Su Q |
306 - 310 |
Endohedral metallofullerenes as strong singlet oxygen quenchers Yanagi K, Okubo S, Okazaki T, Kataura H |
311 - 316 |
Microscale polarity in polymer films probed by fluorescence of a benzanthrone derivative on ensemble and single-molecule level Hattori A, Sato H, Vacha M |
317 - 321 |
Preparation and characterization of iron-chromium cyanide molecular magnet nanoparticles protected by poly(vinylpyrrolidone) Yao JL, Xu Y, Xue DS |
322 - 326 |
On the interaction of magnetic iron clusters with hydrocarbons: Fe-4-propane Castro M |
327 - 330 |
Charge-carrier injection characteristics at organic/organic heterojunction interfaces in organic light-emitting diodes Matsushima T, Goushi K, Adachi C |
331 - 335 |
Thermal electrons and Watson Crick AT(-) Chen ECM, Chen ES |
336 - 341 |
The shape of neutral sarcosine in gas phase Cocinero EJ, Villanueva P, Lesarri A, Sanz ME, Blanco S, Mata S, Lopez JC, Alonso JL |
342 - 345 |
Effective charge of bovine serum albumin determined by electrophoresis NMR Bohme U, Scheler U |
346 - 349 |
Parity violation energy of 5-pyrimidyl alkanol, a chiral autocatalytic molecule Faglioni F, Lazzeretti P, Palyi G |
350 - 353 |
Production of active lysozyme films by matrix assisted pulsed laser evaporation at 355 nm Purice A, Schou J, Kingshott P, Dinescu M |
354 - 357 |
Investigation of pure inductive effects on benzene ring by C-13 NMR chemical shifts: A theoretical study using fictitious nuclear charges of hydrogen atoms ('H* method') Dumont E, Chaquin P |
358 - 363 |
Calorimetric measurements of the light-induced metastable high-spin state on the [Fe(PM-BiA)(2)(NCS)(2)] complex Rodriguez-Velamazan JA, Castro M, Palacios E, Burriel R, Costa JS, Letard JF |