Chemical Physics Letters

Chemical Physics Letters, Vol.608 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (73 articles)

1 - 5	The dependence of SO3 dissociation on the diameter of single-wall carbon nanotubes based on first-principles calculations Shen W, Li F, Liu C, Yin LC
6 - 10	Vibronic emission spectroscopy of benzyl-type radicals: Jet-cooled 2-fluoro-5-chlorobenzyl radical Yoon YW, Chae SY, Lee SK
11 - 16	Theoretical investigation of local proton conductance in the proton exchange membranes Singh RK, Tsuneda T, Miyatake K, Watanabe M
17 - 23	Potential energy surfaces for the C-2(X-1 Sigma(+)(g),a(3)Pi(u))+H(S-2) system. Application: Rotational dynamics of C-2(X-1 Sigma(+)(g)) on the ground adiabatic and diabatic (2)A' surfaces Najar F, Ben Abdallah D, Jaidane N
24 - 27	Site-specific polarizabilities from analytic linear-response theory Peralta JE, Barone V, Jackson KA
28 - 34	Effects of the magnetic anchoring groups on spin-dependent transport properties of Ni(dmit)(2) device Yan SL, Long MQ, Zhang XJ, He J, Xu H, Chen KQ
35 - 39	Surface sol-gel growth of ultrathin SiO2 films on roughened Au electrodes: Extending borrowed SERS to a SERS inactive material Wu Q, Luo CX, Yu HM, Kong GZ, Hu JW
40 - 44	Characterization of structure and energy of TixCy cluster at early formation stage in iron matrix by molecular dynamics Lv YN, Hodgson PD, Kong LX, Gao WM
45 - 49	Quantum/molecular mechanics study of firefly bioluminescence on luciferase oxidative conformation da Silva LP, da Silva JCGE
50 - 54	An efficient initial guess formation of broken-symmetry solutions by using localized natural orbitals Shoji M, Yoshioka Y, Yamaguchi K
55 - 59	Collins's rule, Hofmeister effects and ionic dispersion interactions Duignan TT, Parsons DF, Ninham BW
60 - 67	Controlling spin diffusion by tailored rf-irradiation schemes Wittmann JJ, Hendriks L, Meier BH, Ernst M
68 - 73	Axial ligand effects on the diradical characters and second hyperpolarizabilities of open-shell singlet transition-metal dinuclear complexes Yamada T, Takamuku S, Matsui H, Champagne B, Nakano M
74 - 79	Coil-helix transition of biopolymer confined in finite cylinder Sun TT, Yang ZY
80 - 83	Kinetics of the mechanochemical synthesis of alkaline-earth metal amides Garroni S, Takacs L, Leng HY, Delogu F
84 - 89	Unusual behavior of the pyrimidine-2-hydroxypyrimidine heterodimer isolated in argon matrices Plokhotnichenko AM, Stepanian SG, Adamowicz L
90 - 94	Is there an attractive interaction between two methyl groups? Zhuo HY, Jiang LX, Li QZ, Li WZ, Cheng JB
95 - 101	Theoretical insight towards the photo-dissociation dynamics of O-3-H2O complex: Deep understanding the source of atmospheric hydroxyl radical Wang X, Liu LH, Fang WH, Chen XB
102 - 105	Determination of photoinduced and intrinsic birefringences in PMMA/DR13 guest-host film Dall'Agnol FF, Shimizu FM, Giacometti JA
106 - 112	Single-shot time resolved study of the photo-reversible phase transition induced in flakes of Ti3O5 nanoparticles at room temperature Ould-Hamouda A, Tokoro H, Ohkoshi SI, Freysz E
113 - 119	Photoisomerization and reorientational mobility of symmetric carbocyanines in AOT/alkane/polar solvent microemulsions Dandapat M, Basu S, Ghosh D, Mandal D
120 - 125	A molecular dynamics study of the relaxation of an excited molecule in crystalline nitromethane Rivera-Rivera LA, Siavosh-Haghighi A, Sewell TD, Thompson DL
126 - 129	Spin polarization, orbital occupation and band gap opening in vanadium dioxide: The effect of screened Hartree-Fock exchange Wang H, Mellan TA, Grau-Crespo R, Schwingenschlogl U
130 - 135	Vibrational corrections to hyperpolarizabilities of the O-3, SO2, N2O and CO2 molecules: A comparison between variational and perturbation methods Naves ES, Castro MA, Fonseca TL
136 - 139	Reversible recombination in spin chemistry Sosnovsky DV, Purtov PA
140 - 144	State-specific solvation effect on the intramolecular charge transfer reaction in solution: A linear-response free energy TDDFT method Minezawa N
145 - 151	Polymer stabilized silver nanoparticle: An efficient catalyst for proton-coupled electron transfer reaction and the electrochemical recognition of biomolecule Choudhary M, Siwal S, Islam RU, Witcomb MJ, Mallick K
152 - 156	Site-specific fragmentation probabilities deduced from O+-CO+ molecular frame photoelectron angular distributions from CO2 Tsuru S, Kazama M, Fujikawa T, Adachi J, Mizuno T, Yagishita A
157 - 160	Direct observation of large shock impedance jump upon shock-induced densification of powdered materials confirmed by in situ shock pressure and particle velocity measurements Kobayashi T
161 - 166	Cross sections for electron scattering from alpha-tetrahydrofurfuryl alcohol Duque HV, Chiari L, Jones DB, Thorn PA, Pettifer Z, da Silva GB, Limao-Vieira P, Duflot D, Hubin-Franskin MJ, Delwiche J, Blanco F, Garcia G, Lopes MCA, Ratnavelu K, White RD, Brunger MJ
167 - 172	On the influence of surfactant over friction properties of steel Upadhyay RK, Kumaraswamidhas LA
173 - 176	Sol-gel transition of organogels observed by terahertz spectroscopy Hoshina H, Ozaki A, Itagaki Y, Yajima S, Suzuki H, Ishii S, Ishida M, Uchiyama T, Kimura K, Otani C
177 - 185	Effects of microsolvation on the relative stability of zwitterionic vs. canonical proline Kim JY, Lee Y, Lee S
186 - 190	Magnetic and optical properties of N-doped, Fe-doped and (N, Fe)-codoped anatase TiO2 Chen L, Li HP, Zhang K, Yin LT, Tang H, Liu XJ, Meng J, Li CS
191 - 200	Bound state spectra and properties of the doublet states in three-electron atomic systems Frolov AM, Ruiz MB, Wardlaw DM
201 - 206	Zinc ion induced prefibrillar oligomerization of A beta peptides: From nanocoin to nanobelt Liu YB, Xu LP, Yu HZ, Wen YQ, Zhang XJ
207 - 212	Size dependent electrochemical properties of reduced graphite oxide Tran MH, Yang CS, Yang S, Kim IJ, Jeong HK
213 - 218	Structure and absorption of Co(III) azo complex dyes based on pyrrolinone esters: DFT and TD DFT study Lunak S, Aysha T, Lycka A, Machalicky O, Hrdina R
219 - 223	Strong SHG responses predicted in binary metal halide crystal HgI2 Shi XM, Ma ZJ, He C, Wu KC
224 - 228	Oxygen release from nanobubbles adsorbed on hydrophobic particles Zhao WC, Hu XT, Duan J, Liu T, Liu MH, Dong YM
229 - 234	Photo-less catalysis of TiO2-reduced graphene oxides Jin CJ, Cui XQ, Tian HW, Wang XY, Sun CQ, Zheng WT
235 - 238	The effect of oxygen-plasma treatment on the mechanical and piezoelectrical properties of ZnO nanorods Hussain M, Khan A, Nur O, Willander M, Broitman E
239 - 243	The nature of oxygen states on the surfaces of CeO2 and La-doped CeO2 Keating PRL, Scanlon DO, Watson GW
244 - 248	The effects of defects in CO2 diffusion through carbon nanotubes Mantzalis D, Asproulis N, Drikakis D
249 - 254	Convergence of attenuated second order Moller-Plesset perturbation theory towards the complete basis set limit Goldey MB, Head-Gordon M
255 - 263	Ring currents in silicon tetramer (Si-4, Si-4(2+)) and planar tetracoordinate carbon doped cluster Si4C2+: sigma versus pi aromaticity Tam NM, Pham HT, Nguyen MT
264 - 268	Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study Roztoczynska A, Kozlowska J, Lipkowski P, Bartkowiak W
269 - 271	Structure of a low-lying isomer of BOSi2, as a free-space planar cluster, using the Hartree-Fock method plus second order perturbations Forte G, Angilella GGN, March NH, Pucci R
272 - 276	Theoretical study on the atmospheric reaction of SO2 with the HO2 and HO2 center dot H2O complex formation HSO4 and H2SO3 Chen XY, Tao C, Zhong L, Gao Y, Yao W, Li SJ
277 - 283	Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity Xiao B, Yu XF, Hu H, Ding YH
284 - 288	Influence of damped propagation of dopant on the static and frequency-dependent third nonlinear polarizability of quantum dot Pal S, Ghosh M
289 - 294	Proton vibrations in 2,4,6-trimethylpyridinium pentachlorophenolate Majerz I, Natkaniec I
295 - 302	The boron conundrum: Bonding in the bowl B-30 and B-36, fullerene B-40 and triple ring B-42 clusters Pham HT, Duong LV, Tam NM, Pham-Ho MP, Nguyen MT
303 - 307	Nonlinear optical properties of multipyrrole dyes Frenette M, Hatamimoslehabadi M, Bellinger-Buckley S, Laoui S, Bag S, Dantiste O, Rochford J, Yelleswarapu C
308 - 313	A large enhancement of (hyper)polarizabilities of polyyne capped by Cu Lan YZ, Gao YE, Kang HL
314 - 318	Polycrystalline Si nanocorals/CdS quantum dots composited solar cell with efficient light harvesting and surface passivation Feng WL, Wang YW, Liu J, Yu XB
319 - 323	Spectroscopic observation of jet-cooled 2,5-dichlorobenzyl radical generated by corona discharge Yi EH, Yoon YW, Lee SK
324 - 327	Spatially-resolved spectroscopic investigations on the formation of PtSi by annealing on a silicon surface Kumar Y, Yang M, Ihm K, Lee KJ, Hwang CC
328 - 333	Optical interference effect corrections for absorbance spectra of layer-by-layer thin films bearing covalently bound dye Saydjari A, Long JP, Dressick WJ, Simpkins BS
334 - 339	The covariance of the differences between experimental and theoretical chemical shifts as an aid for assigning two-dimensional heteronuclear correlation solid-state NMR spectra Czernek J, Brus J
340 - 343	Facilitation of the reduction of Pd(II) by the glass surface -Development of a glass-supported palladium catalyst Nishiwaki N, Mori Y, Fukuoka E, Asahara H, Hirao S, Sawayama J, Saigo K, Konishi T, Shimoda M
344 - 350	Electrodynamical forbiddance of strong quadrupole light-molecule interaction and peculiarities of the SEHR spectra in the methane molecule Chelibanov VP, Polubotko AM
351 - 354	An anomalous dipole-dipole arrangement of water molecules encapsulated into C-60 dimer Nomura K, Okada S
355 - 359	An unusual mechanism for HOMO-LUMO gap narrowing in a minimal near-IR dye generated by the deprotonation of bis(dicyanomethylene)indan Fujisawa J
360 - 365	Jump diffusion in the strong-collision model on a two-dimensional triangular lattice Elkoraychy E, Mazroui M, Ferrando R, Boughaleb Y
366 - 372	Theoretical study on the interactions between ionic liquid and solute molecules for typical separation problems Dai YF, Qu YX, Wang S, Wang JD
373 - 379	On the lowest-energy structure of binary Zn-Cd nanoparticles: Size and composition Zanvettor CMA, Marques JMC
380 - 385	Comparison of DFT and ab initio QM/MM methods for modelling reaction in chorismate synthase Lawan N, Ranaghan KE, Manby FR, Mulholland AJ
386 - 392	Theoretical kinetic study of the unimolecular decomposition of 2-bromopropene Bracco LLB, Badenes MP, Tucceri ME, Cobos CJ
393 - 397	Solvent solution-dependent properties of nonstoichiometric cubic Cu2ZnSnS4 nanoparticles Mkawi EM, Ibrahim K, Ali MKM, Farrukh MA, Allam NK
398 - 403	The role of dimerization on the structure transformation of arginine in gas phase Li HB, Lin ZJ, Luo Y
404 - 407	Electron impact dissociation and VUV photoabsorption of frozen formamide Sivaraman B, Nair BG, Sekhar BNR, Jones NC, Hoffmann SV, Mason NJ
408 - 424	On divorcing isomers, dissecting reactivity, and resolving mechanisms of propane C-H and aryl C-X (X = halogen) bond activations mediated by a ligated copper(III) oxo complex Rijs NJ, Weiske T, Schlangen M, Schwarz H