Chemical Physics Letters

Chemical Physics Letters, Vol.612 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (58 articles)

1 - 7	Antireflection and downconversion response of Nd3+ doped Y2O3/Si thin film deposited by AACVD process Elleuch R, Salhi R, Deschanvres JL, Maalej R
8 - 13	Microcrystalline phase transformation from ZrF4 center dot HF center dot 2H(2)O to ZrO2 through the intermediate phases ZrE4 center dot 3H(2)O, ZrF4 center dot H2O, Zr2OF6 center dot H2O and ZrF4 Dey CC
14 - 19	Electronic transport through oligopeptide chains: An artificial prototype of a molecular diode Oliveira JIN, Albuquerque EL, Fulco UL, Mauriz PW, Sarmento RG
20 - 24	Exploring Hamiltonian dielectric solvent molecular dynamics Bauer S, Tavan P, Mathias G
25 - 32	Nature of stokes shifted dual fluorescence in 2-acetyl-pyrrole: Tuning between intramolecular hydrogen bonding and ESIPT pathways Singla N, Chowdhury P
33 - 38	Strain influence on optical absorption of giant semiconductor colloidal quantum dots Pahomi TE, Cheche TO
39 - 44	A density functional study of small TixCy (x, y=1-4) molecules and their thermochemical properties Patzer ABC, Chang C, Sulzle D
45 - 50	Adsorption of tetrathiafulvalene (TTF) on Cu(100): can pi-stacked 1-D aggregates be formed at low temperature? Sarasola A, Barja S, de Parga ALV, Arnau A
51 - 55	Ordering molecular energies by moving boxes Restrepo G, Bernal A
56 - 61	Computational interpretation of Na-23 MQMAS NMR spectra: A comprehensive investigation of the Na environment in silicate glasses Gambuzzi E, Charpentier T, Menziani MC, Pedone A
62 - 67	Fabrication of zinc oxide nanoneedles on conductive textile for harvesting piezoelectric potential Khan A, Hussain M, Nur O, Willander M
68 - 72	Time-dependent Born charges of lithium borate melts by ab initio molecular dynamics Ohkubo T, Tsuchida E, Iwadate Y
73 - 77	Anharmonic effects in the vibrational spectra of radon-containing small molecules Fitzsimmons A, Klobukowski M
78 - 83	Solvent effects on the metal-to-ligand charge transfer transition of the complex [Ru(NH3)(5)(Pyrazine)](2+) Chagas MA, Rocha WR
84 - 88	Electric properties of linear (LiCN)(n) and (LiNC)(n) aggregates: An ab initio study of the lithium bonding effects Brandao I, Rivelino R, Fonseca TL, Castro MA
89 - 96	Origins of threefold rotational barriers of molecule containing two methyl groups: Ethyl propionate as paradigm Dutta B, Chowdhury J
97 - 100	Monte Carlo simulations in the preferential oxidation of carbon monoxide on a copper-ceria catalyst Cortes J, Valencia E, Araya P
101 - 105	Enhanced ultraviolet photoresponse in Au/ZnO nanorods Mahanti M, Basak D
106 - 110	First-principles study of Cu-doping and oxygen vacancy effects on TiO2 for water splitting Zhang HM, Yu XH, McLeod JA, Sun XH
111 - 116	Luminescence of superdispersed systems by the example of KBr: Tl. Part 1 Bobkova IS, Kompaniets TN
117 - 123	FeO2/MgO(100) supported cluster: Computational pursual for a low-cost and low-temperature CO nanocatalyst Zamora AY, Reveles JU, Mejia-Olvera R, Baruah T, Zope RR
124 - 128	In situ observation of gas hydrates growth hosted in porous media Zhao JF, Yang L, Xue KH, Lam W, Li YH, Song YC
129 - 133	First-principles study of fast Na diffusion in Na3P Yu XF, Giorgi G, Ushiyama H, Yamashita K
134 - 137	Vibronic spectrum of jet-cooled 2-chloro-5-fluorobenzyl radical: Assignments and substituent effect Chae SY, Yoon YW, Lee SK
138 - 142	Pressure-induced irreversible phase transitions of the monoclinic GdOOH nanorods at ambient temperature Zhang CC, Dai RC, Sui ZL, Chen Q, Wang ZP, Yuan XD, Zhang ZM, Ding ZJ
143 - 150	Time-optimized quantum gates on linear three-qubit systems with indirect Ising coupling Wei DX, Sporl A, Chang Y, Khaneja N, Yang XD, Glaser SJ
151 - 156	Effects of torsional disorder and position isomerism on two-photon absorption properties of polar chromophore dimers Jia HH, Zhao K, Wu XL
157 - 161	The effect of polymer chain length on the mechanical properties of triblock copolymer gels Chantawansri TL, Sirk TW, Mrozek R, Lenhart JL, Kroger M, Sliozberg YR
162 - 166	Spectroscopic signature for ferroelectric ice Wojcik MJ, Glug M, Boczar M, Boda L
167 - 171	Terahertz vibration-rotation-tunneling spectroscopy of the propane-water dimer: The ortho-state of a 20 cm(-1) torsion Lin W, Steyert DW, Hlavacek NC, Mukhopadhyay A, Page RH, Siegel PH, Saykally RJ
172 - 176	AlF4 superhalogen as the trigger-compound initiating the radical-substitution reactions Marchaj M, Freza S, Skurski P
177 - 181	Statistically based assessment of formation enthalpy for intermetallic compounds Zhang RF, Rajan K
182 - 189	Structural and interaction parameters of thermosensitive native alpha-elastin biohybrid microgel Balaceanu A, Singh S, Demco DE, Moller M
190 - 197	Electron localization-delocalization matrices in the prediction of pK(a)'s and UV-wavelengths of maximum absorbance of p-benzoic acids and the definition of super-atoms in molecules Sumar I, Ayers PW, Matta CF
198 - 202	Hypercubane: DFT-based prediction of an O-h-symmetric double-shell hydrocarbon Pichierri F
203 - 208	Electron propagator theory approach to ab initio calculations of electron transfer rate and molecular conductance Kletsov AA
209 - 213	Extended coupled cluster method for potential energy surface: A decoupled approach Joshi SP, Vaval N
214 - 218	Thermodynamic characterization of two layers of CO2 on a graphite surface Trinh TT, Bedeaux D, Simon JM, Kjelstrup S
219 - 222	Nonlinear absorption and scattering properties of copper sulfide nanocrystals Li ZG, Qian XM, Xiao ZG, Wei TH, Song YL
223 - 228	Experimental and computational investigation of intermolecular interactions in cyclopentanone with methanol mixture Zhang YF, Huang RY, Wang JW, Geng TM, Zhao SP, Wu GH
229 - 233	DFT characterization of a new possible graphene allotrope Karaush NN, Baryshnikov GV, Minaev BF
234 - 239	Structural and electronic properties of the P3HT-PCBM dimer: A theoretical Study Gutierrez-Gonzalez I, Molina-Brito B, Gotz AW, Castillo-Alvarado FL, Rodriguez JI
240 - 244	Electrochemical reduction of an anion for ionic-liquid molecules on a lithium electrode studied by first-principles calculations Ando Y, Kawamura Y, Ikeshoji T, Otani M
245 - 250	EPR, optical absorption and superposition model studies of Cr3+ doped dipotassium stannic chloride monohydrate Kripal R, Yadav AK
251 - 255	A simple but highly selective and sensitive fluorescence reporter for toxic Cd-II ion via excimer formation Samanta A, Guchhait N, Bhattacharya SC
256 - 261	Extensive water cluster fragmentation after low energy electron ionization Lengyel J, Pysanenko A, Poterya V, Kocisek J, Farnik M
262 - 265	On the oxidation state of'Fe' in LaFe1-xNixO3 Idrees M, Nadeem M, Sung NE, Asanova T, Shin TJ
266 - 272	Dynamics of endo- vs. exo-complexation and electronic absorption of calix[4]arene-Ar-2 Cabral BJC, Coutinho K, Canuto S
273 - 279	Implementation of an alternative method to determine the critical cooling rate: Application in silver and copper nanoparticles Medrano LR, Landauro CV, Rojas-Tapia J
280 - 284	High permittivity induced by interaction between PI matrix and graphite oxide filler Lai MB, Kou SW, Yu SH, Sun R, Wong CP
285 - 288	Enhanced visible light photocatalytic activity for the hybrid MoS2/anatase TiO2(001) nanocomposite: A first-principles study Cao L, Wang R, Wang DX, Xu LC, Li XY
289 - 294	Electron-induced single strand break in the nucleotide of 5-and 6-bromouridine. A DFT study Golon L, Chomicz L, Rak J
295 - 301	Structures and electronic properties of metal organic frameworks: DFT and ab initio FMO calculations for model systems Sugimoto T, Mizushima T, Okamoto A, Kurita N
302 - 305	Novel planar chain like Li7F7 and Li9F9 nanostructures Srivastava AK, Misra N
306 - 308	Synthesis of SnS/In2S3 core-shell nanoparticles Prastani C, Nanu M, Nanu D, Schropp REI, Rath JK
309 - 312	Environmentally friendly synthesis of supportless Pt based nanoreactors in aqueous solution Groves MN, Malardier-Jugroot C, Jugroot M
313 - 317	An alternative explanation for the collapse of unfolded proteins in an aqueous mixture of urea and guanidinium chloride Graziano G
318 - 319	Atomic stress tensor analysis of proteins (vol 539, pg 144, 2012) Ishikura T, Hatano T, Yamato T