Chemical Physics Letters

Chemical Physics Letters, Vol.501, No.4-6 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (90 articles)

153 - 158	Efficiency enhancement of copper contaminated radial p-n junction solar cells Boukai A, Haney P, Katzenmeyer A, Gallatin GM, Talin AA, Yang PD
159 - 165	The surprising oxidation state of fumed silica and the nature of water binding to silicon oxides and hydroxides Wang TH, Gole JL, White MG, Watkins C, Street SC, Fang ZT, Dixon DA
166 - 171	The'tailored' CCSD(T) description of the automerization of cyclobutadiene Lyakh DI, Lotrich VF, Bartlett RJ
172 - 178	Vibrational predissociation spectroscopy and theory of Ar-tagged, protonated Imidazole (Im) Im(1-3)H(+)center dot Ar clusters Gerardi HK, Gardenier GH, Viswanathan U, Auerbach SM, Johnson MA
179 - 186	Rotational and vibrational energy levels of methane calculated from a new potential energy surface Nikitin AV, Rey M, Tyuterev VG
187 - 192	Temperature (290-400 K) and pressure (5-900 Torr) dependence of the kinetics of the reactions of chlorine atoms with propene and 1-butene Kaiser EW, Wallington TJ
193 - 196	Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet Zope RR, Baruah T
197 - 201	Theoretical investigation of the effect of rotational excitation on the stereodynamics of the Od(P-3) + H-2 -> OH -> H reaction Liu SL, Shi Y
202 - 205	Energy of the quasi-free electron in dense neon Evans CM, Lushtak Y, Findley GL
206 - 210	The rovibrational structure of the Kr-HF complex from an ab initio interaction potential Wang ZQ, Zhang CZ, Feng EY, Yu HJ, Du JM
211 - 214	Unique optical properties of silver cluster-biochromophore hybrids: Comparison with copper and gold Kulesza A, Mitric R, Bonacic-Koutecky V
215 - 220	Quantum chemical study of copper (II) chloride and the Deacon reaction Suleiman IA, Mackie JC, Kennedy EM, Radny MW, Dlugogorski BZ
221 - 225	Jet-cooled laser-induced dispersed fluorescence spectroscopy of ScN: Observation of a(3)Sigma(+) state Mukund S, Nakhate SG
226 - 231	The excited states of a porphine-quinone complex under an external electrostatic field calculated by TDDFT Aittala PJ, Cramariuc O, Hukka TI
232 - 237	Electronic spectra and molecular geometry of the non-linear carbon chain C9H3 Zhao D, Wehres N, Linnartz H, Ubachs W
238 - 244	Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H2O)(4) cluster with path-integral molecular dynamics simulations Sugawara S, Yoshikawa T, Takayanagi T, Tachikawa M
245 - 251	Performances of recently-proposed functionals for describing disulfide radical anions and similar systems Dumont E, Laurent AD, Assfeld X, Jacquemin D
252 - 256	Quantum dynamics of H + LiH+ reaction on its electronic ground state Roy T, Rao TR, Mahapatra S
257 - 262	Electronic transitions of iridium monoboride Pang HF, Ng YW, Xia Y, Cheung ASC
263 - 266	Kinetics and mechanism of gas-phase reaction of CF3CF2CF2CF2CF2CF2CF2CF2H with OH radicals in an environmental reaction chamber at 253-328 K Chen L, Uchimaru T, Kutsuna S, Tokuhashi K, Sekiya A, Okamoto H
267 - 272	Optimal laser control of molecular photoassociation along with vibrational stabilization de Lima EF, Ho TS, Rabitz H
273 - 277	Prediction of the glass transition in aqueous solutions of simple amides by molecular dynamics simulations Kreck CA, Mandumpal JB, Mancera RL
278 - 282	Photophysics and halide quenching of Soret-excited ZnTPPS4- in aqueous media Szmytkowski J, Brunet SMK, Tripathy U, O'Brien JA, Paige MF, Steer RP
283 - 286	Extrapolating wavefunction-based ab initio results from finite clusters to the bulk solid - The case of group 1 and 11 metals (Li, Cu) Stoll H, Doll K
287 - 291	Deformation-enhanced fluorescence resonance energy transfer Jee AY, Lee M
292 - 295	Computational study of the hafnium (IV) ion in aqueous solution Messner CB, Hofer TS, Randolf BR, Rode BM
296 - 299	Excited-state relaxation processes of DPA-DSB: Investigation of the reason for high fluorescence quantum yield of symmetric D-pi-D molecule He X, Liu YQ, Du X, Yang YQ, Xu B, Tian WJ, Ma YG
300 - 303	Temperature dependence of laser-induced fluorescence of Tb3+ in molten LiCl-KCl eutectic Jung EC, Bae SE, Cha W, Bae IA, Park YJ, Song K
304 - 307	Path integral molecular dynamics simulation of quasi-free rotational motion of CO doped in a large para-hydrogen cluster Mizumoto Y, Ohtsuki Y
308 - 314	Probing the structures and thermodynamic characteristics of the environment polluting mercuric halides, cyanides and thiocyanates Majumdar D, Roszak S, Leszczynski J
315 - 318	The role of Ru atoms toward the dehydrogenation of ethanol on Ru/ZrO2(111) surface Chen YW, Wu SY, Ho JJ
319 - 323	Spectroscopic and computational insight into weak noncovalent interactions in crystalline pyrimidine Wright AM, Joe LV, Howard AA, Tschumper GS, Hammer NI
324 - 329	First principles investigations on the half metallic properties of Sr2MOsO6 (M = V, Mn, Fe, Co) Wang J, Meng JA, Wu ZJ
330 - 334	Doping influence on the ability to form single crystals Peng K, Ming C, Ye XX, Zhang WX, Zhuang J, Ning XJ
335 - 339	Characteristics of a charged-droplet beam generated by vacuum electrospray of an ionic liquid Fujiwara Y, Saito N, Nonaka H, Nakanaga T, Ichimura S
340 - 344	Photoresponse enhancement by anisotropic shape of a microscale freestanding solid-state bridge of a polythiophene-based polymer Kim D, Choi J
345 - 350	Rotational dynamics of propylene in ZSM-5 zeolitic frameworks Gautam S, Sharma VK, Mitra S, Chaplot SL, Mukhopadhyay R
351 - 357	Crystal structure and electronic properties of three phenylpropionic acid derivatives: A combined X-ray powder diffraction and quantum mechanical study Das U, Chattopadhyay B, Mukherjee M, Mukherjee AK
358 - 363	Fluorescence dynamics in supercooled (acetamide plus calcium nitrate) molten mixtures Gazi HAR, Guchhait B, Daschakraborty S, Biswas R
364 - 368	A unified treatment of polar solvation using electrostatic fluctuations Stenhammar J, Linse P, Karlstrom G
369 - 374	Vibrational spectroscopy of nitroaromatic self-assembled monolayers under extreme conditions Fu YX, Friedman EA, Brown KE, Dlott DD
375 - 378	On the bonding of Ga-2, structures of Ga-n clusters and the relation to the bulk structure of gallium Gaston N, Parker AJ
379 - 384	Theoretical study of the adsorption and dissociation of azobenzene on the rutile TiO2(110) surface Ramalho JPP, Illas F
385 - 389	Luminescence of tetraphenylporphyrin by an energy transfer from photoexcited ZnO nanoparticle Hiromitsu I, Kawami A, Tanaka S, Morito S, Sasai R, Ikeue T, Fujita Y, Handa M
390 - 395	The role of hydrocarbon concentration on the synthesis of large area few to multi-layer graphene structures Dervishi E, Li ZR, Shyaka J, Watanabe F, Biswas A, Umwungeri JL, Courte A, Biris AR, Kebdani O, Biris AS
396 - 399	Repair of magnetism in oxidized graphene nanoribbons Boukhvalov DW
400 - 403	Intercalation of P atoms in Fullerene-like CPx Gueorguiev GK, Czigany Z, Furlan A, Stafstrom S, Hultman L
404 - 408	Evolution of magnetic nanophases of Ni embedded in Al2O3 (001) matrix by X-ray magnetic circular dichroism Thakur P, Kumar R, Cezar JC, Brookes NB, Sharma A, Arora SK, Gautam S, Kumar A, Chae KH, Shvets IV
409 - 413	Dynamic second-order hyperpolarizabilities of Si2C and Si3C clusters using coupled cluster singles-and-doubles response approach Lan YZ, Feng YL
414 - 418	Microwave-controlled ultrafast synthesis of uniform silver nanocubes and nanowires Zhao TA, Fan JB, Cui J, Liu JH, Xu XB, Zhu MQ
419 - 422	Internal structure of Al hollow nanoparticles generated by laser ablation in liquid ethanol Viau G, Colliere V, Lacroix LM, Shafeev GA
423 - 426	Carbon nanotube as a gramicidin analogue Hilder TA, Chung SH
427 - 430	Improved visible light absorption of HTaWO6 induced by nitrogen doping: An experimental and theoretical study Sun CH, Mukherji A, Liu G, Wang LZ, Smith SC
431 - 436	Carbon coated Nb2O5 nanowires as enhanced field emitters Prabhakar RR, Varghese B, Wang YZ, Gao XY, Sow CH
437 - 441	Investigation of surface and non-local screening effects in the Ni 2p core level photoemission spectra of NiO Mossanek RJO, Preda I, Abbate M, Rubio-Zuazo J, Castro GR, Vollmer A, Gutierrez A, Soriano L
442 - 445	Topological efficiency of C-66 fullerene Vukicevic D, Cataldo F, Ori O, Graovac A
446 - 450	Prototype of a scalable core-shell Cu2O/TiO2 solar cell Li DD, Chien CJ, Deora S, Chang PC, Moulin E, Lu JG
451 - 454	Effects of poly-L-tyrosine molecules decoration on the surface properties and electron transport of SWCNTs compared to the effects of DNA molecules Higashi T, Nakajima Y, Kojima M, Ishii K, Inoue A, Maekawa T, Hanajiri T
455 - 460	Molecular mechanism of hydrocarbons binding to the metal-organic framework Sun XQ, Wick CD, Thallapally PK, McGrail BP, Dang LX
461 - 465	Fabrication of carbon nanotube/silicon nanowire array heterojunctions and their silicon nanowire length dependent photoresponses Cao Y, He JH, Zhu JL, Sun JL
466 - 469	Assisted crystal growing by tempering metastable vapor-liquid fluids Odriozola G, Jimenez-Angeles F, Orea P
470 - 474	Controlled synthesis and characterization of single crystalline MnO nanowires and Mn-Si oxide heterostructures by vapor phase deposition Banis MN, Zhang Y, Banis HN, Li RY, Sun XL, Jiang XX, Nikanpour D
475 - 479	Raman spectra and temperature-dependent Raman scattering of carbon nanoscrolls Zhou HQ, Qiu CY, Yang HC, Yu F, Chen MJ, Hu LJ, Guo YJ, Sun LF
480 - 484	Investigation on the red shift of charge transfer excitation spectra for nano-sized Y2O3:Eu3+ Shang CY, Shang XH, Qu YQ, Li MC
485 - 490	Electronically modified single wall carbon nanohorns with iodine adsorption Khoerunnisa F, Fujimori T, Itoh T, Kanoh H, Ohba T, Yudasaka M, Iijima S, Kaneko K
491 - 495	Synthesis and vibrating properties ZnSe/Ge bi-axial heterostructural nanowires Xu XF, Wang CR, Liu JA, Cai JS, Chen XS
496 - 501	Singlet oxygen production by fluorescence resonance energy transfer (FRET) from green and orange CdSe/ZnS QDs to protoporphyrin IX (PpIX) Duong HD, Rhee JI
502 - 507	Reaction mechanism of isoflavone O-methyltransferase: A theoretical investigation Cui FC, Pan XL, Liu JY
508 - 512	Effect of polarization on the stability of a helix dimer Wang XY, Zhang JZH
513 - 516	Substrate specificity of papain dynamic structures for peptides consisting of 8-10 GLY residues Nishiyama K
517 - 522	Local entropy difference upon a substrate binding of a psychrophilic alpha-amylase and a mesophilic homologue Kosugi T, Hayashi S
523 - 527	Iron location in O-carboxymethyl chitosans determined by X-ray absorption spectroscopy Klepka MT, Lawniczak-Jablonska K, Wolska A, Slawska-Waniewska A, Rodrigues CA, Lorini J, da Cruz KA
528 - 533	Temperature dependence of relaxation time of a stable radical pair in SyPixD investigated by pulsed EPR Kondo T, Masuda S, Tsutsui K, Mino H
534 - 539	Theoretical study on the electronic structures and intramolecular charge transfer of naamine A, naamidine A and naamidine G Jiang K, Yang YG, Liu YF, Shi DH, Sun JF
540 - 546	A theoretical study of the near edge X-ray absorption fine structure of amino acids and proteins Buckley MW, Besley NA
547 - 553	Changes in fluorescent emission of cationic fluorophores in the presence of n-alkanes and alcohols in different polarity solvents Delgado-Camon A, Garriga R, Mateos E, Cebolla VL, Galban J, Membrado L, de Marcos S, Galvez EM
554 - 561	Potential energy surfaces and mechanisms for activation of ethane by gas-phase Pt+: A density functional study Ye P, Ye Q, Zhang GB, Cao ZX
562 - 566	A new formulation of two-time correlation functions of Markov chains applied to gene networks Feng HD, Wang J
567 - 571	Non-thermal reaction triggered by a stimulated Raman process using 5-fs laser pulses in the electronic ground state: Claisen rearrangement of allyl phenyl ether Iwakura I, Yabushita A, Kobayashi T
572 - 574	Two-photon excitation of 2,5-diphenyloxazole using a low power green solid state laser Luchowski R
575 - 579	Separation of motions of atomic cores and valence electrons in molecules Mohallem JR, Diniz LG, Dutra AS
580 - 586	Derivative coupling constants of NK1, NK7 dyes and their relation to excited state dynamics in solar cell applications Manzhos S, Segawa H, Yamashita K
587 - 593	AIM and BET approach for ionic and covalent bond evolution in reaction of hydrogen elimination from ammonia and lithium hydride Kalinowski J, Berski S, Latajka Z
594 - 597	The use of unsymmetrical one-range addition theorems of Slater type orbitals for the calculation of intermolecular Coulomb interaction energy Guseinov II, Mamedov BA
598 - 602	Multicanonical molecular dynamics simulations combined with Metadynamics for the free energy landscape of a biomolecular system with high energy barriers Yonezawa Y, Shimoyama H, Nakamura H
603 - 607	Curious properties of the Morse oscillator Mccoy AB
608 - 611	Zero-field splitting of compact trimethylenemethane analogue radicals with density functional theory Perumal SSRR
612 - 618	The infrared spectrum of spessartine Mn3Al2Si3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0) Maschio L, Ferrabone M, Meyer A, Garza J, Dovesi R
619 - 622	Photoelectrochemical hydrogen production on Cu2ZnSnS4/Mo-mesh thin-film electrodes prepared by electroplating Ma GJ, Minegishi T, Yokoyama D, Kubota J, Domen K
623 - 627	Car-Parrinello molecular dynamics simulations of infrared spectra of crystalline imidazole Kwiendacz J, Boczar M, Wojcik MJ