Chemical Physics Letters

Chemical Physics Letters, Vol.610 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (73 articles)

1 - 7	Changes in hydrophobic and hydrophilic hydration properties caused by raising the pressure or by lowering the temperature Kinoshita M, Oshima H
8 - 13	Singlet oxygen O-2(a(1) Delta(g)) formation via UV-excitation of isoprene-oxygen C5H8-O-2 encounter complexes in gas phase Pyryaeva AP, Goldort VG, Kochubei SA, Baklanov AV
14 - 18	Quantum Theory of Atoms in Molecules/Charge-Charge Flux-Dipole Flux interpretation of fundamental vibrational intensity enhancements on H-bond formation of water trimer Silva AF, Richter WE, Bruns RE
19 - 22	Performance of the M06 family of functionals in prediction of the charge transfer transition energies of the naphthalene-TCNE and pyrene-TCNE molecular complexes Tiwary AS, Mukherjee AK
23 - 28	On the electronic structure and chemical bonding of titanium tetraauride: TiAu4 and TiAu4- Erdogdu Y, Jian T, Lopez GV, Li WL, Wang LS
29 - 32	The activation mechanism of Fe-based olefin metathesis catalysts Poater A, Pump E, Vummaleti SVC, Cavallo L
33 - 38	Low reactivity of methane on copper surface during graphene synthesis via CVD process: Ab initio molecular dynamics simulation Shibuta Y, Arifin R, Shimamura K, Oguri T, Shimojo F, Yamaguchi S
39 - 44	Role of zinc oxide nanomorphology on Schottky diode properties Middya S, Layek A, Dey A, Datta J, Das M, Banerjee C, Ray PP
45 - 49	In silico screening of metal organic framework for iodine capture and storage Assfour B, Assaad T, Odeh A
50 - 55	Theoretical study on a corrole-azafullerene dyad: Electronic structure, spectra and photoinduced electron transfer Petsalakis ID, Theodorakopoulos G
56 - 61	Molecular analogs of the hemihelix: A computational study of chain molecules containing left- and right-handed helices Pichierri R
62 - 69	The species- and site-specific acid-base properties of penicillamine and its homodisulfide Mirzahosseini A, Szilvay A, Noszal B
70 - 75	Heterogeneous reaction of particulate chlorpyrifos with NO3 radicals: Products, pathways, and kinetics Li NN, Zhang P, Yang B, Shu JA, Wang YF, Sun WQ
76 - 81	DFT study of CO oxidation over Au/TiO2(110): The extent of the reactive perimeter zone Koga H, Tada K, Okumura M
82 - 85	Microwave spectrum of perfluoropentanoic acid Pejlovas AM, Li KX, Kukolich SG, Lin W
86 - 90	Effect of surface hydroxyl coverage on platinum nanoparticles in the oxygen reduction reaction: All-electron density functional theory analysis Shin J, Choi JH, Bae YS, Lee SC
91 - 94	A fast relaxation of electronically-excited inclusion complexes of a styryl dye with cucurbit[7]uril Ivanov DA, Petrov NK, Ivanov AA, Alfimov MV, Vedernikov AI, Gromov SP
95 - 97	Electronic structure of cyclodextrin decorated carbon nanotube films Yang CS, Jeong HK
98 - 102	Crystal growth and characterization of Mn2+ doped tripotassium citrate Kripal R, Singh M
103 - 107	Glycine assisted hydrothermal synthesis of alpha-Fe2O3 nanoparticles and its size dependent properties Biju CS, Raja DH, Padiyan DP
108 - 114	Exploring photoinduced electron transfer and excited-state proton transfer reactions involving 9-aminoacridine hydrochloride hydrate and methyl viologen using laser flash photolysis Mitra P, Chakraborty B, Basu S
115 - 120	Microwave-assisted synthesis of spherical beta-Ni(OH)(2) superstructures for electrochemical capacitors with excellent cycling stability Mondal AK, Su DW, Chen SQ, Zhang JQ, Ung AS, Wang GX
121 - 124	Infrared spectra of He-, Ne-, and Ar-C6D6 George J, McKellar ARW, Moazzen-Ahmadi N
125 - 130	The excited state dynamics of protein-encapsulated Au nanoclusters Shi JY, Cooper JK, Lindley S, Williams O, Kliger DS, Xu YL, Bao YP, Zhang JZ
131 - 134	Adsorption preference reversal phenomenon from multisite-occupancy theory for two-dimensional lattices Matoz-Fernandez DA, Ramirez-Pastor AJ
135 - 140	A physics-based scoring function for protein structural decoys: Dynamic testing on targets of CASP-ROLL Ruiz-Blanco YB, Marrero-Ponce Y, Garcia Y, Puris A, Bello R, Green J, Sotomayor-Torres CM
141 - 147	Acidity constants and its dependence on solvent selection from first-principles calculations using cluster-continuum models Pham HH, Taylor CD, Henson NJ
148 - 152	Modeling of charge transfer processes to understand photophysical signatures: The case of Rhodamine 110 Savarese M, Raucci U, Netti PA, Adamo C, Ciofini I, Rega N
153 - 158	Switching the vibrational excitation of a polyatomic ion in multi-photon strong field ionization Liu YZ, Gerber T, Radi P, Sych Y, Knopp G
159 - 162	Ions increase strength of hydrogen bond in water Urbic T
163 - 166	Additive models for the molecular polarizability and volume Blair SA, Thakkar AJ
167 - 172	Orbitals of the dipositronium Varandas AJC, Brajczewska M, da Providencia J, da Providencia JP
173 - 178	Equation-of-motion coupled cluster method for ionized states with partial inclusion of connected triples: Assessment of the accuracy in regular and explicitly-correlated approaches Bokhan D, Trubnikov DN, Musial M, Bartlett RJ
179 - 185	Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: A DFT/TD-DFT study Wang DD, Lu R, Yuan MH, Chen JS, Feng LQ, Fu AP, Tian FH, Varandas AJC, Chu TS
186 - 191	Interactions of the Watson-Crick nucleic acid base pairs with carbon nanotubes and graphene: DFT and MP2 study Stepanian SG, Karachevtsev MV, Karachevtsev VA, Adamowicz L
192 - 197	Mechanism for covalence bond benzene dimers formation: A DFT and MP2 investigation Qin Y, Huo RP, Zhang X
198 - 203	Structural evolution, tunable electronic and magnetic properties of bare and semi-hydrogenated two-dimensional cubic boron nitride nanosheets Li J, Li HD, Yin H
204 - 208	Fast preparation and high thermoelectric performance of the stable Bi0.5Sb1.5Te3 bulk materials for different synthesis pressures Guo X, Jia XP, Qin JM, Sun HR, Zhang YW, Sun B, Liu BW, Ma HA
209 - 212	The inorganic analogues of carbo-benzene Jalife S, Audiffred M, Islas R, Escalante S, Pan S, Chattaraj PK, Merino G
213 - 218	Direct QM/MM simulation of photoexcitation dynamics in bacteriorhodopsin and halorhodopsin Punwong C, Martinez TJ, Hannongbua S
219 - 222	Molecular dynamics of methanol cation (CH3OH+) in strong fields: Comparison of 800 nm and 7 mu m laser fields Thapa B, Schlegel HB
223 - 227	Hydrogen-induced healing of cluster-damaged silicon surfaces Le HLT, Forero-Martinez NC, Vach H
228 - 233	Enantiomer-selective ultraviolet photolysis of temperature-controlled protonated tryptophan on a chiral crown ether in the gas phase Fujihara A, Sato T, Hayakawa S
234 - 240	Theoretical study of the structure, bonding and electronic behaviour of sandwich complexes [M-3(C7H7)(2)X-3](-) (M = Ni, Pd, Pt; X = F, Cl) Zhou K, Min ST, Xue GL, Huang WD
241 - 245	Fabrication of the silver structure through two-photon excitation by femtosecond laser Nakamura R, Kinashi K, Sakai W, Tsutsumi N
246 - 250	Internal rotation barrier of the XH3-YH3 (X, Y = C or Si) molecules. An energy decomposition analysis study Chang X, Su PF, Wu W
251 - 255	Encapsulation of paramagnetic diatomic molecules B-2, O-2 and Ge-2 inside C-60 Equbal A, Srinivasan S, Ramachandran CN, Sathyamurthy N
256 - 260	Ligand-free gold atom clusters adsorbed on graphene nano sheets generated by oxidative laser fragmentation in water Lau M, Haxhiaj I, Wagener P, Intartaglia R, Brandi F, Nakamura J, Barcikowski S
261 - 266	Palladium-nanoparticle-coated carbon nanotube gas sensor Han M, Jung D, Lee GS
267 - 272	Viscous origin of ionic liquids at the molecular level: A quantum chemical insight Garcia G, Atilhan M, Aparicio S
273 - 277	Analysis of hole transport in thin films and nanoparticle assemblies of poly(3-hexylthiophene) Han X, Bag M, Gehan TS, Venkataraman D, Maroudas D
278 - 283	Amorphous nanoshell formed through random growth and related plasmonic behaviors Wang YW, Shen HM, He YB, Cheng YQ, Perriat P, Martini M, Tillement O, Gong QH, Lu GW
284 - 287	Pulsed laser fabricated few-layer MoS2 on silver Loh TAJ, Chua DHC
288 - 297	A simple state-average procedure determining optimal coordinates for anharmonic vibrational calculations Thomsen B, Yagi K, Christiansen O
298 - 302	A multi-functional molecular device based on oligo phenylenevinylene and graphene Li XB, Gao H, Wan HQ, Li HL, Zhou GH
303 - 309	A fragment based step-by-step strategy for determining the most stable conformers of biomolecules Li HB, Lin ZJ, Luo Y
310 - 315	Strong two-photon absorption properties and ultrafast pump-probe studies of novel porphyrin derivatives Swain D, Rana A, Panda PK, Rao SV
316 - 320	Visible-light induced hydrogen generation with ZnO/NiO/Cd1-xZnxS (x=0.0, 0.2) heterostructures Lingampalli SR, Roy A, Ikram M, Rao CNR
321 - 330	Proton affinity and molecular basicity of m- and p-substituted benzamides in gas phase and in solution: A theoretical study Safi ZS, Omar S
331 - 334	A novel gold nanoparticle stabilization and its muon chemistry Farren-Dai M, Awoonor-Williams E, MacNeil CS, Mahimwalla Z, Ghandi K
335 - 340	Quasi-classical trajectory calculations of cross sections and rate constants for the Si plus OH -> SiO plus H reaction Rivero-Santamaria A, Dayou F, Rubayo-Soneira J, Monnerville M
341 - 344	Blue-green photoluminescence in BaZrO3-delta powders Dhahri K, Bejar M, Dhahri E, Soares MJ, Graca MFP, Sousa MA, Valente MA
345 - 350	Stabilizing the zwitter-ionic form of amino acids in the gas phase: An ab initio study on the minimum number of solvents and ions Pathak AK
351 - 356	Movement of Ng(2) molecules confined in a C-60 cage: An ab initio molecular dynamics study Khatua M, Pan S, Chattaraj PK
357 - 362	A spectroscopic study of the optical properties of a nitrobenzoxadiazole derivative in solution: The role of specific interactions Quarti C, Villafiorita-Monteoleone F, Botta C, Daita V, Perdicchia D, Del Buttero P, Del Zoppo ML
363 - 368	Controlled formation of porous silver nanowires Rajesh D, Sunandana CS
369 - 374	Low temperature heat capacity of water clusters Chen HS, Hansen K
375 - 380	Attraction between hydrated hydrophilic surfaces Kanduc M, Schneck E, Netz RR
381 - 387	Adsorption of methanethiol on Au(111): Role of hydrogen bonds Lustemberg PG, Abufager PN, Martiarena ML, Busnengo HF
388 - 393	Synthesis and characterization of an isoindigo-dithienocarbazole-isoindigo oligomer for organic solar cells Lyu F, Park H, Lee SH, Lee SH, Lee YS
394 - 400	A large perturbation on electronic and photophysical properties of Ir(III) carbene complexes caused by the variation of N-substitution in N,N'-heteroaromatic ligands Liu YQ, Si YL, Wang Y, Wu ZJ
401 - 404	Valence structures and magnetic interactions of 1-D mixed-metal complexes, [Ni1-xPdxX(chxn)(2)]X-2 (0.0 <= x <= 1.0, chxn = (1R,2R)-diaminocyclohexane, X = Cl, Br) studied by N-15 solid-state NMR Kimura N, Tanaka M, Shimizu T, Ikeda R
405 - 410	Modification of interactions among proteins with the lowering of solution pD toward the isoelectric point in presence of different valent ions Das K, Kundu S, Mehan S, Aswal VK