Chemical Physics Letters

Chemical Physics Letters, Vol.460, No.1-3 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (77 articles)

1 - 9	Multiple excitons and the electron-phonon bottleneck in semiconductor quantum dots: An ab initio perspective Prezhdo OV
10 - 12	Direct monitoring of photo-induced reactions on well-defined metal oxide surfaces using vibrational spectroscopy Rohmann C, Wang YM, Muhler M, Metson J, Idriss H, Woll C
13 - 17	DFT study of the spin-forbidden reaction of N2O and CO catalyzed by Pt+ Wang YC, Wang QY, Geng ZY, Si YB, Zhang JH, Li HZ, Zhang QL
18 - 22	Spectroscopic characterization of 1,2,4,5-tetracyanobenzene Chakraborty S, Wategaonkar S
23 - 26	Predicted stability of the organo-xenon compound HXeCCH above the cryogenic range Tsivion E, Zilberg S, Gerber RB
27 - 30	Relationship between the electrophilicity and sigma(p) Hammett constant in Baeyer-Villiger reactions Meneses L, Araya A, Pilaquinga F, Fuentealba P
31 - 36	Potential energy surface for the C-2(X-1 Sigma(+)(g))+He(S-1) system: Application to the rotationally inelastic scattering of C-2 in collisions with He Najar F, Ben Abdallah D, Jaidane N, Ben Lakhdar Z
37 - 41	Discovery of hexacoordinate hypervalent carbon compounds: Density functional study Kikuchi Y, Ishii M, Akiba K, Nakai H
42 - 45	Elucidating energy disposal pathways following excitation of the symmetric OH stretching band in formic acid dimer Barnes GL, Sibert EL
46 - 49	Absorption spectra of zinc phthalocyanine anions under radiative cooling Goto M, Togawa M, Jinno S, Takao T, Matsumoto J, Shiromaru H, Achiba Y, Tanuma H, Azuma T
50 - 54	Photodissociation study of 1,2-C2H4BrCl at 234 and 267 nm by the ion-velocity imaging technique Hua LQ, Shen H, Zhang CH, Cao ZZ, Zhang B
55 - 58	A new global reaction route map on the potential energy surface of H2CO with unrestricted level Maeda S, Ohno K
59 - 63	Time-dependent photoionization of azulene: Optically induced anistropy on the femtosecond scale Raffael K, Blanchet V, Chatel B, Turri G, Girard B, Garcia IA, Wilkinson I, Whitaker BJ
64 - 67	Kinetics of reactions of CN with chlorinated methanes Samant V, Hershberger JF
68 - 71	Anion photoelectron spectroscopy of TaOn- (n=1-3) Zheng WJ, Li X, Eustis S, Bowen K
72 - 78	Interaction between O-3 and H2O2: A theoretical study Makiabadi B, Roohi H
79 - 81	Photoelectron spectra of some organozinc compounds Barwick M, Abu-Izneid T, Novak I, Kovac B
82 - 85	Nuclear spin conversion of O-2 doped solid normal H-2 at 4.2 K: An empirical law to determine the ortho-H-2 concentration by infrared absorption spectroscopy Abouaf-Marguin L, Vasserot AM
86 - 92	Electronic structure effects in liquid water studied by photoelectron spectroscopy and density functional theory Nordlund D, Odelius M, Bluhm H, Ogasawara H, Pettersson LGM, Nilsson A
93 - 99	Single-crystal and synchrotron X-ray powder diffraction study of the one-dimensional orthorhombic polymer phase of C-60 Papoular RJ, Toby BH, Davydov VA, Rakhmanina AV, Dzyabchenko A, Allouchi H, Agafonov V
100 - 107	A DFT investigation of base-catalyzed beta-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. experiment Mosconi E, De Angelis F, Tarantelli F, Alunni S, Sgamellotti A
108 - 111	Electron irradiation of solid nitrous oxide Sivaraman B, Ptasinska S, Jheeta S, Mason NJ
112 - 115	Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study Cwiklik L, Kubisiak P, Kulig W, Jungwirth P
116 - 118	Energy splitting between triplet and singlet exciplex states determined with E-type delayed fluorescence Frederichs B, Staerk H
119 - 124	Hydrogen bond induced twisted intramolecular charge transfer in 2-(4'-N,N-dimethylaminophenyl)imidazo[4,5-b]pyridine Dash N, Chipem FAS, Swaminathan R, Krishnamoorthy G
125 - 128	Permanent second-harmonic generation in AgGaGeS4 bulk-crystallized chalcogenide glasses Lin CG, Tao HZ, Pan RK, Zheng XL, Dong GP, Zang HC, Zhao XJ
129 - 136	Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles Mogelhoj A, Aidas K, Mikkelsen KV, Kongsted J
137 - 140	A screened hybrid density functional study of metallic thorium carbide Lim IS, Scuseria GE
141 - 145	Three-body interactions in solid parahydrogen Hinde RJ
146 - 150	A luminescence decay function encompassing the stretched exponential and the compressed hyperbola Berberan-Santos MN
151 - 154	Validation of semiempirical PM6 method for the prediction of molecular properties of polycyclic aromatic hydrocarbons and fullerenes Alparone A, Librando V, Minniti Z
155 - 157	Measurement of photoluminescence efficiency of Ir(III) phenylpyridine derivatives in solution and solid-state films Endo A, Suzuki K, Yoshihara T, Tobita S, Yahiro M, Adachi C
158 - 161	Kinetics of the formation of a new phase in nanoparticles Zhdanov VP, Kasemo B
162 - 167	Purification of single walled carbon nanotubes: The problem with oxidation debris Fogden S, Verdejo R, Cottam B, Shaffer M
168 - 172	Improving the photoelectrochemical performance of polythiophene sensitized TiO2 electrode by modification with gold nanoparticles Chen JM, Zou YP, Li YF, Zhou XW, Zhang JB, Li XP, Xiao XR, Lin Y
173 - 177	Size distribution of gold nanoparticles covered with thiol-terminated cyanobiphenyl-type liquid crystal molecules studied with small-angle X-ray scattering and TEM Hino K, Shingai R, Morita T, Toku K, Hirano T, Yoshikawa H, Nakano H, Nishi N
178 - 181	Electrochemical deposition of ultrathin ruthenium films on Au(111) from an ionic liquid Mann O, Freyland W, Raz O, Ein-Eli Y
182 - 186	Reception and detection of chemical signaling by electrochemical oscillators Karantonis A, Koutsaftis D, Bredaki M, Kouloumbi N
187 - 190	Gold nanoparticle based surface enhanced fluorescence for detection of organophosphorus agents Dasary SSR, Rai US, Yu HT, Anjaneyulu Y, Dubey M, Ray PC
191 - 195	Fine tuning the coverage of a titanate nanowire layer on a glass substrate Daranyi M, Kukovecz A, Horvath E, Konya Z, Kiricsi I
196 - 199	Structural role of europium ions in lead-borate glasses inferred from spectroscopic and DFT studies Rada S, Culea M, Neumann M, Culea E
200 - 204	Room temperature and long-lasting blue phosphorescence of Cr-doped alpha-Al2O3 nanowires Wang S, Shao MW, Shao G, Wang H, Cheng L
205 - 208	Raman scattering of aryl isocyanide monolayers on atomically at Au(111) single crystal surfaces enhanced by gap-mode plasmon excitation Ikeda K, Fujimoto N, Uehara H, Uosaki K
209 - 215	Information entropy and level-spacing distribution based signatures of quantum chaos in electron doped 2D single carrier quantum dots Hazra RK, Ghosh M, Bhattacharyya SP
216 - 219	Photosensitization of different ruthenium(II) complex dyes on TiO2 for photocatalytic H-2 evolution under visible-light Peng TY, Dai K, Yi HB, Ke DN, Cai P, Zan L
220 - 224	Model non-linear nano-electronic device Negre CFA, Gallay PA, Sanchez CG
225 - 229	The effect on acidity of size and shape of carboxylated single-wall carbon nanotubes. A DFT-SLDB study Kar T, Scheiner S, Roy AK
230 - 236	Extinction coefficient analysis of small alkanethiolate-stabilised gold nanoparticles Rance GA, Marsh DH, Khlobystov AN
237 - 240	Vibrational analysis of per-fluorinated-triamantane Hart JN, May PW, Allan NL, Dahl JEP, Liu SG, Carlson RMK, Adcock JL
241 - 244	Long-lived charge separated state in molecular films containing porphyrin-fullerene dyad Kaunisto K, Chukharev V, Tkachenko NV, Lemmetyinen H
245 - 252	An ESR study of biradicals formed from two 4-amino-TEMPOs linked by -(CH2)(n)-, (n=2, 3, 4, 6) Szydlowska J, Pietrasik K, Glaz L, Kaim A
253 - 256	Vertically aligned ZnO nanowire arrays on GaN and SiC substrates Mai WJ, Gao PX, Lao CS, Wang ZL, Sood AK, Polla DL, Soprano MB
257 - 260	Morphological transition of dry vesicles into onion-like multilamellar micelles induced through heating at high temperature Zhu YT, Yu HZ, Zhu JT, Zhao GY, Jiang W, Yang XD
261 - 265	When do nanowires break? A model for the theoretical study of the long-term stability of monoatomic nanowires Velez P, Dassie SA, Leiva EPM
266 - 271	The structures and electronic properties of double-wall bismuth nanotubes from first-principle calculations Qi JS, Shi DN, Jiang XF
272 - 277	Electrostatic control of photoisomerization in the photoactive yellow protein chromophore: Ab initio multiple spawning dynamics Ko C, Virshup AM, Martinez TJ
278 - 283	MIRROR recoupling and its application to spin diffusion under fast magic-angle spinning Scholz I, Huber M, Manolikas T, Meier BH, Ernst M
284 - 288	Molecular simulation evidence for processive motion of Trichoderma reesei Cel7A during cellulose depolymerization Zhao X, Rignall TR, McCabe C, Adney WS, Himmel ME
289 - 294	The morphology of GM1(x)/SM0.6-x/Chol(0.4) planar bilayers supported on SiO2 surfaces Mao Y, Tero R, Imai Y, Hoshino T, Urisu T
295 - 299	A comparison of generalized Born methods in folding simulations Terada T, Shimizu K
300 - 305	Binding energy contributions of the conserved bridging water molecules in CDK2-inhibitor complexes: A combined QM/MM study Jia R, Yang LJ, Yang SY
306 - 310	Nonradiative long range energy transfer in donor-acceptor systems with excluded volume Rangelowa-Jankowska S, Kulak L, Bojarski P
311 - 314	A simple energy-scaling scheme for fine-tuning empirical potentials for coupled quantum mechanical/molecular mechanical studies Khare R, Mielke SL, Paci JT, Schatz GC, Belytschko T
315 - 318	Geometry optimization and structural distribution of silver clusters from Ag-170 to Ag-310 Shao XG, Yang XL, Cai WS
319 - 324	Study of RgBr and RgBr(-) (Rg = He, Ne, Ar, Kr) van der Waals molecules: Interaction and spectroscopic constants Bera NC, Das AK
325 - 330	Heat transport through model molecular junctions: A multilayer multicon. guration time-dependent Hartree approach Velizhanin KA, Wang HB, Thoss M
331 - 335	Parallelized QM/MC simulations applied to the Diels-Alder reaction in aqueous, methanol and propane solutions Yamaguchi T, Sumimoto M, Hori K
336 - 338	Exchange coupling constants using density functional theory: The M0X suite Ruiz E
339 - 342	The comparison of pKa determination between carbonic acid and formic acid and its application to prediction of the hydration numbers Wang XX, Fu H, Du DM, Zhou ZY, Zhang AG, Su CF, Ma KS
343 - 346	Alternative descriptors of Coulomb systems and their relationship to the kinetic energy Nagy A
347 - 351	Determination of active sites based on unified analysis of potential energy profile in chemical reaction: Application to C-H activation of methane by Ti(IV)-imido complex Nakai H, Suzuki J, Kikuchi Y
352 - 358	A parameterized compound-model chemistry for morphing the intermolecular potential of OC-HCl Rivera-Rivera LA, Lucchese RR, Bevan JW
359 - 364	Simple supersymmetric recipe for calculating the vibrational-rotational levels of a diatomic molecule Selg M
365 - 369	Studies of EPR theory and trigonal distortion of the (NiX6)(4-) clusters (X = halide ion) in the series of perovskite crystals AMX(3) (A = Rb, Cs; M = Cd, Mg; X = halide ion) Wang HQ, Kuang XY, Li HF
370 - 374	A novel dynamic exciton expression based on the ab initio MO CI based quantum master equation approach Nakano M, Kishi R, Minami T, Fukui H, Nagai H, Yoneda K, Takahashi H
375 - 381	Equilibrium exchange enhances the convergence rate of umbrella sampling Neale C, Rodinger T, Pomes R
382 - 385	Bonding and aromaticity in an all-metal sandwich-like compound, Be-8(2-) Chattaraj PK, Roy DR, Duley S