Chemical Physics Letters

Chemical Physics Letters, Vol.591 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (65 articles)

1 - 4	Geometry versus topology: Combined AIM, ELI-D, and ASF analysis of weak intramolecular interactions Mebs S, Chilleck MA
5 - 9	Sensitivity enhancement of a grating-based surface plasmon-coupled emission (SPCE) biosensor chip using gold thickness Yuk JS, Guignon EF, Lynes MA
10 - 15	Enhanced optical, dielectric and piezoelectric behavior in dye doped zinc tris-thiourea sulphate (ZTS) single crystals Bhandari S, Sinha N, Ray G, Kumar B
16 - 20	Insights into structural stability and Li superionic conductivity of Li10GeP2S12 from first-principles calculations Hu CH, Wang ZQ, Sun ZY, Ouyang CY
21 - 24	Vanadium doping of LiMnPO4: Vibrational spectroscopy and first-principle studies Kellerman D, Medvedeva N, Mukhina N, Semenova A, Baklanova I, Perelyaeva L, Gorshkov V
25 - 28	Ab initio study on electronically excited states of lithium isocyanide, LiNC Yasumatsu H, Jeung GH
29 - 31	Stacking interactions of nickel bis(dithiolene) with benzene Zhou J
32 - 36	On the possibility of using XANES to investigate bromide-based ionic liquids Zitolo A, Migliorati V, Aquilanti G, D'Angelo P
37 - 42	Local enhancement effect in the photoluminescence intensity of Si quantum dots: Single Medusa-type particles investigated by in situ microscope spectrometer Tamamitsu H, Saitow K
43 - 46	Jet-cooled laser-induced dispersed fluorescence spectroscopy of NiC: Observation of low-lying Omega=0(+) state Mukund S, Yarlagadda S, Bhattacharyya S, Nakhate SG
47 - 51	Vibronic structure of picene electronic transitions Verdelli A, Girlando A
52 - 57	Solvent effect on the photo-induced proton transfer in 2-(N-methyl-alpha-iminoethyl)-phenol Toliautas S, Macernis M, Sulskus J, Valkunas L
58 - 63	Computing the Position-Spread tensor in the CAS-SCF formalism El Khatib M, Leininger T, Bendazzoli GL, Evangelisti S
64 - 68	Rotational profiles of vibrational bands recorded at the B(3)1(5(3)P(1)) <- X(1)0(+)(5(1)S(0)) transition in CdAr complex Urbanczyk T, Koperski J
69 - 77	An accurate pair potential function for diatomic systems Xie JC, Kar T, Xie RH
78 - 81	Synthesis of graphene from dry ice in flames and its application in supercapacitors Zhang J, Tian T, Chen YH, Niu YF, Tang J, Qin LC
82 - 87	Improving quasiparticle second order electron propagator calculations with the spin-component-scaled technique Romero J, Charry JA, Nakai H, Reyes A
88 - 92	Geometrical effects on resonance energy transfer between orthogonally-oriented chromophores, mediated by a nearby polarisable molecule Ford JS, Andrews DL
93 - 98	Observations on nonlinear optical properties of ZnS nanosheet, ZnS-ZnO composite nanosheet and porous ZnO nanostructures dispersed in aqueous medium Kole AK, Kumbhakar P, Chatterjee U
99 - 102	Trends in organic hydroperoxide photodissociation and absorption cross sections between 266 and 377 nm Hsieh S, Vushe R, Tun YMT, Vallejo JL
103 - 108	Direct dynamics investigation of the reaction S(P-3) + CH4 -> CH3 + SH((2)Pi) Alves TV, Alves MM, Roberto-Neto O, Ornellas FR
109 - 112	Phosphorescence from the T-2(n, pi*) state observed for 4-hyroxybenzaldehyde in a p-dichlorobenzene matrix Itoh T
113 - 118	Could the lithium bond be classified as the sigma-hole bond? - QTAIM and NBO analysis Lipkowski P, Grabowski SJ
119 - 125	Relationship between room temperature phosphorescence and deuteration position in a purely aromatic compound Hirata S, Totani K, Watanabe T, Kaji H, Vacha M
126 - 129	Facile synthesis and shape control of bismuth nanoflowers induced by surfactants Dai YR, Song YH
130 - 132	Spatially separated polar samples of the cis and trans conformers of 3-fluorophenol Kierspel T, Horke DA, Chang YP, Kupper J
133 - 136	Correcting density functionals for dispersion interactions using pseudopotentials Karalti O, Su XG, Al-Saidi WA, Jordan KD
137 - 141	Structural changes of nucleic acid base in aqueous solution as observed in X-ray absorption near edge structure (XANES) Shimada H, Fukao T, Minami H, Ukai M, Fujii K, Yokoya A, Fukuda Y, Saitoh Y
142 - 148	Protonation-induced modulation of one- and two-photon absorption properties for quadripolar dyes Ding HJ, Sun J, Zhang YJ, Wang CK
149 - 155	A preliminary investigation on reinforced double layer Nafion membranes for high temperature PEFCs application Sacca A, Pedicini R, Carbone A, Gatto I, Fracas P, Passalacqua E
156 - 160	Theoretical tuning of the firefly bioluminescence spectra by the modification of oxyluciferin Cheng YY, Zhu J, Liu YJ
161 - 165	Exploiting the ion-exchange ability of titanate nanotubes in a model water softening process Madarasz D, Szenti I, Sapi A, Halasz J, Kukovecz A, Konya Z
166 - 169	Magnetic-field enhanced photovoltaic performance of dye-sensitized TiO2 nanoparticle-based solar cells Cai FS, Zhang SX, Zhou S, Yuan ZH
170 - 174	Density dependence of fixed-node errors in diffusion quantum Monte Carlo: Triplet pair correlations Kulahlioglu AH, Rasch K, Hu SM, Mitas L
175 - 178	Predicting mechanical response of crosslinked epoxy using ReaxFF Odegard GM, Jensen BD, Gowtham S, Wu JY, He JY, Zhang ZL
179 - 184	Initial value represented propagator for semiquantal squeezed state wave packet Ando K
185 - 188	Potential enhancement of superconductivity in MgB2 nanosheets: First-principles calculations Ao BY, Zhang ZJ, Tang T, Zhao YP
189 - 192	Photocatalyst AgInS2 for active overall water-splitting: A first-principles study Huang D, Persson C
193 - 196	Surfactant-free small Ni nanoparticles trapped on silica nanoparticles prepared by pulsed laser ablation in liquid Mafune F, Okamoto T, Ito M
197 - 202	Three-dimensional networks of hydrogen bonds in periodic arrays of molecular modules containing amide-(ethylene glycol) and amide-(ethylene glycol)-amide: Ab initio picture Malysheva L, Kapitanchuk O, Onipko A
203 - 206	Complex quantum Hamilton-Jacobi equation with Bohmian trajectories for wave packet dynamics Chou CC
207 - 211	Flexibility damps macromolecular crowding effects on protein folding dynamics: Application to the murine prion protein (121-231) Bergasa-Caceres F, Rabitz HA
212 - 215	The saturation pressure for different objects in reduced variables and the justification of some empirical relations set from the van der Waals equation Apfelbaum EM, Vorob'ev VS
216 - 219	Interactions between freons and aromatic molecules: The rotational spectrum of pyridine-difluoromethane Vallejo-Lopez M, Spada L, Gou Q, Lesarri A, Cocinero EJ, Caminati W
220 - 226	Are natural orbitals useful for generating an efficient expansion of the wave function? Giesbertz KJH
227 - 232	Surface modification of nanosilica with 3-mercaptopropyl trimethoxysilane: Experimental and theoretical study on the surface interaction Wu JB, Ling LX, Xie JB, Ma GZ, Wang BJ
233 - 236	Three-dimensional laser-scanning confocal reflecting microscope for multicolor single-molecule imaging at 1.5 K Maruo M, Inagawa H, Toratani Y, Kondo T, Matsushita M, Fujiyoshi S
237 - 242	Bridge function of the repulsive Weeks-Chandler-Andersen (WCA) fluid Tomazic D, Hoffgaard F, Kast SM
243 - 247	Comparison of static and dynamic methods of treatment of anharmonicity for the vibrational study of isolated and aqueous forms of guanine Thicoipe S, Carbonniere P, Pouchan C
248 - 252	Molecular dynamics study of temperature behavior in a graphene nanoribbon Wang XQ
253 - 258	A comparative Brownian dynamics investigation between small linear and circular DNA: Scaling of diffusion coefficient with size and topology of DNA Hasnain S, Jacobson MP, Bandyopadhyay P
259 - 264	The effect of gamma-ray irradiation on thermal oxidation of additive-free polypropylene pellets investigated by multichannel Fourier-transform chemiluminescence spectroscopy Yano A, Ishii H, Satoh C, Akai N, Hironiwa T, Millington KR, Nakata M
265 - 267	A unique feature of chiral transition of a difluorobenzo[c]phenanthrene molecule confined in a boron-nitride nanotube based on molecular dynamics simulations Meng Y, Xiu P, Huang BL, Wang ZG, Zhang RQ, Zhou RH
268 - 272	Reactive aluminum metal nanoparticles within a photodegradable poly(methyl methacrylate) matrix Patel A, Becic J, Buckner SW, Jelliss PA
273 - 276	Comparative theoretical study of the binding of potential cancer-treatment drugs to Checkpoint kinase 1 Araujo PMM, da Silva LP, da Silva JCGE
277 - 281	Visible light induced oxidation of water by rare earth manganites, cobaltites and related oxides Naidu BS, Gupta U, Maitra U, Rao CNR
282 - 286	Kinetics of low energy electron attachment to some fluorinated alcohols in the gas phase Wnorowski K, Wnorowska J, Kopyra J, Michalczuk B, Szamrej I, Barszczewska W
287 - 291	Onset of Orientational Order in Amorphous Calcium Carbonate (ACC) upon Dehydration Saharay M, Kirkpatrick RJ
292 - 295	An estimation of the contribution of Pi(g) electronic states to magnetic shielding asymmetry in HD Golubev NS, Shchepkin DN
296 - 300	Molecular-length induced inversion of rectification in diblock pyrimidinyl-phenyl molecular junctions Zhang GP, Xie Z, Song Y, Hu GC, Wang CK
301 - 305	Conformers of dimers of carboxylic acids in the gas phase: A rotational study of difluoroacetic acid-formic acid Gou Q, Feng G, Evangelisti L, Caminati W
306 - 311	Local viscosity change in water near a solid-liquid interface and its extraction by means of molecular rotational diffusion - A molecular dynamics study Nakaoka S, Surblys D, Yamaguchi Y, Kuroda K, Nakajima T, Fujimura H
312 - 316	The equilibrium geometry of A@C-60: A test case for conventional density functional theory Ma Y, Ai YJ, Song XN, Wang CK, Luo Y
317 - 322	Ion effects on the structure of water studied by terahertz time-domain spectroscopy Kondoh M, Ohshima Y, Tsubouchi M
323 - 327	Design and characterization of two strong fullerene receptors based on ball-socket interactions Denis PA