Chemical Physics Letters

Chemical Physics Letters, Vol.429, No.1-3 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (65 articles)

1 - 7	Laser-induced fluorescence spectra of tetracene complexes with Ne, H2O, D2O inside He droplets Lindinger A, Toennies JP, Vilesov AF
8 - 12	Calculated lanthanide contractions for molecular trihalides and fully hydrated ions: The contributions from relativity and 4f-shell hybridization Clavaguera C, Dognon JP, Pyykko P
13 - 17	The v(3) band of CD3CD3: High resolution stimulated Raman spectrum and global three band analysis Moazzen-Ahmadi N, Domenech JL, Bermejo D
18 - 22	Quinoxaline-1,4-dioxide: Substituent effects on the N-O bond dissociation enthalpy Gomes JRB, da Silva MDMCR, Silva MAVR
23 - 26	The structure of protonated HCP: A classical or non-classical ion? Del Bene JE, Alkorta I, Elguero J
27 - 31	Direct evidences of scattering resonances enhancement in the vibrational relaxation of I-2 (B-3 Pi(+)(0u), v'=21) by collisions with He at very low temperatures Cabanillas-Vidosa I, Pino GA, Rinaldi CA, Ferrero JC
32 - 37	Microsolvation of the chlorine oxide anion and chlorine oxide radical: Structures and energetics of the ClO-center dot(H2O)(n) and ClO center dot(H2O)n n=1-4 clusters Guo JW, Watkins MJ, Muller-Dethlefs K, Dessent CEH
38 - 42	Hydrogen bonding of radicals: Interaction of dimethyl ether with HOO, HOOH, and HOO- Solimannejad M, Scheiner S
43 - 48	Reaction of the ground-state Al(P-2) with silane: Examination of the potential energy surfaces for complexation, insertion and interconversion Moc J
49 - 51	Predicted IR spectra of Ti8C12 and Ti8C12+ Varganov SA, Dudley TJ, Gordon MS
52 - 57	Vibrational behavior of tetrahedral d(0) oxo-compounds: A theoretical study Carbonniere P, Ciofini I, Adamo C, Pouchan C
58 - 61	Theoretical study of the bond energy in n-silanes and n-germanes: Comparison with n-alkanes Alkorta I, Elguero J
62 - 67	Ab initio configuration interaction study of the low-lying electronic states of InF Banerjee A, Pramanik A, Das KK
68 - 76	A morphed intermolecular bending potential of OC-HCl Rivera-Rivera LA, Lucchese RR, Bevan JW
77 - 85	Mechanism for OH-initiated photooxidation of naphthalene in the presence of O-2 and NOx: A DFT study Qu XH, Zhang QZ, Wang WX
86 - 90	Oxygen atoms on the (111) surface of coinage metals: On the chemical state of the adsorbate Torres D, Neyman KM, Illas F
91 - 96	Coherent nuclear dynamics in ultrafast electron transfer in a porphyrin-ferrocene dyad Kubo M, Mori Y, Otani M, Murakami M, Ishibashi Y, Yasuda M, Hosomizu K, Miyasaka H, Imahori H, Nakashima S
97 - 102	Ultrasonic attenuation spectrometry study of alpha-cyclodextrin plus KI complexation in water Haller J, Miecznik P, Kaatze U
103 - 108	Picosecond excitation energy relaxation processes in a ladder-type pi-conjugated polymer Hildner R, Lemmer U, Scherf U, Kohler J
109 - 113	First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters Bergersen H, Abu-Samha M, Lindblad A, Marinho RRT, Ceolin D, Ohrwall G, Saethre LJ, Tchaplyguine M, Borve KJ, Svensson S, Bjorneholm O
114 - 118	Benzene solubility in water: A reassessment Graziano G
119 - 123	Converged electronic polarization of acetone in liquid water and the role in the n-pi* transition Georg HC, Coutinho K, Canuto S
124 - 128	Effect of UV/ozone treatment of the dielectric layer on the device performance of pentacene thin film transistors Guo D, Entani S, Ikeda S, Saiki K
129 - 135	Electron binding energies of water clusters: Implications for the electronic properties of liquid water do Couto PC, Cabral BJC, Canuto S
136 - 140	Vibrational population relaxation of thiocyanate ion in polar solvents studied by ultrafast infrared spectroscopy Ohta K, Tominaga K
141 - 146	Rotational dynamics of nonpolar laser dyes Inamdar SR, Mannekutla JR, Mulimani BG, Savadatti MI
147 - 152	Ab initio calculations of the colour of closed-ring diarylethenes: TD-DFT estimates for molecular switches Jacquemin D, Perpete EA
153 - 156	Pressure independence of the Onsager heat of transport for a gas-liquid interface at high pressures James RA, Pursell CJ, Phillips LF
157 - 160	Luminescence enhancement by energy transfer in core-shell structures Louis C, Roux S, Ledoux G, Dujardin C, Tillement O, Cheng BL, Perriat P
161 - 165	A theoretical study of conducting oligomeric systems: The conceptual DFT perspective Moncada JL, Toro-Labbe A
166 - 168	Structure and stability of the (H2O)(21) and (H2O)(20) center dot (H2S) clusters: Relevance of cluster systems to gas hydrate formation McCarthy VN, Jordan KD
169 - 173	(Hyper)polarizabilities of isolated GaN nanoclusters Pineda AC, Karna SP
174 - 179	Second hyperpolarizabilities of polycyclic diphenalenyl radicals: Effects of para/ortho-quinoid structures and central ring modification Nakano M, Nakagawa N, Ohta S, Kishi R, Kubo T, Kamada K, Ohta K, Champagne B, Botek E, Takahashi H, Furukawa S, Morita Y, Nakasuji K, Yamaguchi K
180 - 184	TD-DFT investigation on the low-lying excited states of spiro-bithiophene Yang SY, Kan YH, Yang GC, Su ZM, Zhao L
185 - 188	Two contrary effects of electron transfer on the structures and stability of dimetallofullerenes Gan LH
189 - 193	Spin- and phase transition in the spin crossover complex [Fe(Ptz)(6)](BF4)(2) studied by nuclear inelastic scattering of synchrotron radiation and by DFT calculations Bottger LH, Chumakov AI, Grunert CM, Gutlich P, Kusz J, Paulsen H, Ponkratz U, Rusanov V, Trautwein AX, Wolny JA
194 - 198	Unbalanced strain-directed functionalization of carbon nanohorns: A theoretical investigation based on complementary methods Petsalakis ID, Pagona G, Theodorakopoulos G, Tagmatarchis N, Yudasaka M, Iijima S
199 - 203	MWNT-TiO2 : Ni composite catalyst: A new class of catalyst for photocatalytic H-2 evolution from water under visible light illumination Ou Y, Lin JD, Fang SM, Liao DW
204 - 208	Catalyst excitation by radio frequency for improved carbon nanotubes synthesis Biris AR, Biris AS, Lupu D, Trigwell S, Dervishi E, Rahman Z, Marginean P
209 - 213	Comparison of hydrogen atom adsorption on Pt clusters with that on Pt surfaces: A study from density-functional calculations Okamoto Y
214 - 218	TeO2 nanoparticles synthesized by evaporation of tellurium in atmospheric microwave-plasma torch-flame Cho SC, Hong YC, Uhm HS
219 - 224	Diffusion of CH4 and CO2 in MFI, CHA and DDR zeolites Krishna R, van Baten JM, Garcia-Perez E, Calero S
225 - 228	Contact configuration dependence of conductance of 1,4-phenylene diisocyanide molecular junction Yan XW, Liu RJ, Li ZL, Zou B, Song XN, Wang CK
229 - 233	Dehydration kinetics of D-glucose monohydrate studied using THz time-domain spectroscopy Liu HB, Zhang XC
234 - 238	Singlet internal conversion processes in the order of IBu+-> 3A(g)(-)-> IBu--> 2A(g)(-)-> IA(g)(-) in all-trans-spheroidene and lycopene as revealed by subpicosecond time-resolved Raman spectroscopy Rondonuwu FS, Kakitani Y, Tamura H, Koyama Y
239 - 243	Time-resolved Raman evidence for energy'funneling' through propionate side chains in heme'cooling' upon photolysis of carbonmonoxy myoglobin Gao Y, Koyama M, El-Mashtoly SF, Hayashi T, Harada K, Mizutani Y, Kitagawa T
244 - 249	AFM characterization of gramicidin-A in tethered lipid membrane on silicon surface Lei SB, Tero R, Misawa N, Yamamura S, Wan LJ, Urisu T
250 - 254	Formation of overcharged cationic lipid/DNA complexes Caracciolo G, Pozzi D, Caminiti R, Amenitsch H
255 - 260	Modeling of the'hydration shell' of uracil and thymine in small water clusters by DFT and MP2 methods Danilov VI, van Mourik T, Poltev VI
261 - 265	Spectral origins and ionization potentials of guanine tautomers: Theoretical elucidation of experimental findings Shukla MK, Leszczynski J
266 - 270	EPR theoretical study of local molecular structure for tetrahedral Fe3+ centers in zinc oxide Li JF, Kuang XY, Mao AJ, Tan XM
271 - 275	Total cross section for electron scattering by H2S and C2F6 at 30-5000 eV: Considering the geometric shielding effect Shi DH, Sun JF, Liu YF, Zhu ZL
276 - 281	Fast transient absorption spectroscopy of the early events in photoexcited chiral benzophenone-naphthalene dyads Perez-Ruiz R, Groeneveld M, van Stokkum IHM, Tormos R, Williams RM, Miranda MA
282 - 285	Generation and reactivity of a lactone derived radical Lalevee J, Allonas X, Fouassier JP
286 - 288	On the definition of the effectively unpaired electron density matrix: A similarity measure approach Alcoba DR, Bochicchio RC, Lain L, Torre A
289 - 293	Large-core vs. small-core pseudopotentials: A case study for Au-2 Stoll H
294 - 298	Nonlinear optics of molecular nanostructures in solution: Assessment of the size and nonlinear optical properties Shcheslavskiy VI, Saltiel SM, Ivanov DA, Ivanov AA, Petrusevich VY, Petrov GI, Yakovlev VV
299 - 303	A stretched exponential model of collective dynamic structure factor in simple dense fluids Ali SM, Samanta A, Ghosh SK
304 - 309	Radiation-induced decomposition of PETN and TATB under pressure Giefers H, Pravica M, Liermann HP, Yang WG
310 - 316	Second-order integrators for Langevin equations with holonomic constraints Vanden-Eijnden E, Ciccotti G
317 - 320	Experimental and computational investigation of energy transfer between azulene and krypton Bernshtein V, Oref I, Liu CL, Hsu HC, Ni CK
321 - 325	Toward the stable optical trapping of a droplet with counter laser beams under microgravity Isomura A, Magome N, Kohira MI, Yoshikawa K
326 - 334	B-7(-) as a novel ligand: Theoretical investigations on structures and chemical bonding of LiB7 and BeB7+ Gong LF, Guo WL, Wu XM, Li QS
335 - 340	Ab initio properties and potential energy surface of the ground electronic state of BeHe2+ Page AJ, Wilson DJD, von Nagy-Felsobuki EI
341 - 341	Sidewall functionalization of single-walled carbon nanotubes through CF4 plasma treatment and subsequent reaction with aliphatic amines (vol 403, pg 385, 2005) Valentini L, Puglia D, Armentano I, Kenny JM