Chemical Physics Letters

Chemical Physics Letters, Vol.446, No.1-3 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (42 articles)

1 - 7	QTAIM electron density study of natural chalcones Moa MJG, Mandado M, Cordeiro MNDS, Mosquera RA
8 - 13	Theoretical investigation for the reaction of NO2 with CO catalyzed by Sc+ Wang YC, Zhang JH, Geng ZY, Chen DP, Liu ZY, Yang XY
14 - 19	Theoretical study of the simplest Xe-containing molecule: HXeH Takayanagi T, Asakura T, Takahashi K, Taketsugu Y, Taketsugu T, Noro T
20 - 24	Dynamics of H-loss in adenine via the (1)pi sigma* state using a combination of ns and fs laser spectroscopy Wells KL, Roberts GM, Stavros VG
25 - 30	Proton transfer between 3',5'-methyl phosphate uridine and water: A theoretical study Jalbout AK, Zhang LQ, Li HR, Hu XB
31 - 35	Photodissociation dynamics of CF3Br at 225 nm: Direct dissociation via pseudo-linear geometry Kim TK, Lee KW, Lee KS, Lee EK, Jung KH
36 - 42	Molecular structure of 5,10,15,20-tetra(1-naphthyl)porphyrin and 5,10-di(4-hexadecyloxyphenyl)-15,20-di(4-pyridyl)porphyrin studied by high-energy X-ray diffraction Idziak D, Pasewicz A, Koloczek J, Kus P, Wrzalik R, Fennell T, Honkimaki V, Ratuszna A, Burian A
43 - 48	The effects of orientational and energetic disorder on Forster energy migration along a one-dimensional lattice Ahn TS, Wright N, Bardeen CJ
49 - 55	The photophysics of nitrocarbazoles used as UV-MALDI matrices: Comparative spectroscopic and optoacoustic studies of mononitro- and dinitrocarbazoles Bonesi SA, Mesaros M, Cabrerizo FM, Ponce MA, Bilmes GM, Erra-Balsells R
56 - 58	Instability of the doped high pressure rhombohedral C-60 polymer structure Pontiroli D, Pagliari M, Belli M, Ricco M, Buga S
59 - 64	Dissociation of DNA-polycation complexes by polyanions and polyampholytes Shew CY, Yoshikawa K, Ito T, Yoshihara C, Koyama Y
65 - 70	Laser induced emission spectra of polyyne molecules C2nH2 (n=5-8) Wakabayashi T, Nagayama H, Daigoku K, Kiyooka Y, Hashimoto K
71 - 76	Some insights into fragility as a function of thermodynamic parameters: From orientational to structural glass transitions Salud J, Lopez DO, Diez-Berart S, Perez-Jubindo MA, de la Fuente MR, Rute MA
77 - 82	Non-resonance: SERS effects of silver colloids with different shapes Tiwari VS, Oleg T, Darbha GK, Hardy W, Singh JP, Ray PC
83 - 86	Two-photon absorption induced photoluminescence in para-sexiphenyl nano-needles Liu KJ, Hernandez-Sosa G, Sitter H, Zhang CF, Dong ZW, Yan YL, Qian SX
87 - 91	Computational study of molecular properties of aggregates of C-60 and (16,0) zigzag nanotube Witek HA, Trzaskowski B, Malolepza E, Morokuma K, Adamowicz L
92 - 97	Studying the transfer process of a gemini surfactant from water to beta-cyclodextrin at a molecular level Guerrero-Martinez A, Dominguez-Gutierrez D, Palafox MA, Tardajos G
98 - 102	The optical properties of one-dimensional ZnO: A first-principles study Yang YR, Yan XH, Xiao Y, Guo ZH
103 - 108	Raman and conductivity studies of boron doped microcrystalline diamond, facetted nanocrystalline diamond and cauliflower diamond films May PW, Ludlow WJ, Hannaway M, Heard PJ, Smith JA, Rosser KN
109 - 114	Investigations of NanoBud formation Nasibulin AG, Anisimov AS, Pikhitsa PV, Jiang H, Brown DP, Choi M, Kauppinen EI
115 - 118	Efficient dielectric function for FDTD simulation of the optical properties of silver and gold nanoparticles Hao F, Nordlander P
119 - 123	Monolayer h-BN on lattice-mismatched metal surfaces: On the formation of the nanomesh Preobrajenski AB, Nesterov MA, Ng ML, Vinogradov AS, Martensson N
124 - 127	Endowing hexaphenylsilole with chemical sensory and biological probing properties by attaching amino pendants to the silolyl core Dong YQ, Lam JWY, Qin A, Li Z, Liu JZ, Sun JZ, Dong YP, Tang BZ
128 - 132	The effects of extensive pitting on the mechanical properties of carbon nanotubes Mielke SL, Zhang S, Khare R, Ruoff RS, Belytschko T, Schatz GC
133 - 137	Pure niobia as catalyst for the oxidation of organic contaminants: Mechanism study via ESI-MS and theoretical calculations Oliveira LCA, Ramalho TC, Goncalves M, Cereda F, Carvalho KT, Nazzarro MS, Sapag K
138 - 141	4f-5d absorption of gadolinium ions in sodium gadolinium tetrafluorides Hirai T, Hashimoto S, Sakuragi S, Ohno N
142 - 144	Covalent sidewall functionalization of single-walled carbon nanotubes via one-electron reduction of benzophenone by potassium Wei LM, Zhang YF
145 - 150	Molecular dynamics simulation of the enterostatin APGPR and VPDPR peptides in water Trucco G, Fornili SL
151 - 158	Effect of base mismatch on the electronic properties of DNA-DNA and LNA-DNA double strands: Density-functional theoretical calculations Natsume T, Ishikawa Y, Dedachi K, Tsukamoto T, Kurita N
159 - 164	Energetics of the hole transfer in DNA duplex oligomers Berashevich JA, Chakraborty T
165 - 169	Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye Guillaume M, Liegeois V, Champagne B, Zutterman F
170 - 175	Local hardness: An application to electrophilic additions Meneses L, Araya A, Pilaquinga F, Contreras R, Fuentealba P
176 - 181	Non-iterative approach to the infinite-order two-component (IOTC) relativistic theory and the non-symmetric algebraic Riccati equation Kedziera D, Barysz M
182 - 190	On-the-fly string method for minimum free energy paths calculation Maragliano L, Vanden-Eijnden E
191 - 198	An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: theory and preliminary application to toluene Borowski P, Fernandez-Gomez M, Fernandez-Liencres MP, Ruiz TP
199 - 205	Ab initio and TDDFT investigations on charge transfer transition for the o-chloranil/aniline complex in gas phase Bhattacharya S
206 - 211	On quantitative measurements in phase-shift off-axis cavity-enhanced absorption spectroscopy Kasyutich VL, Martin PA
212 - 216	Fluorescence lifetime imaging microscopy for in situ observation of the nanocrystallization of rubrene in a microfluidic set-up Desportes S, Yatabe Z, Baumlin S, Genot V, Lefevre JP, Ushiki H, Delaire JA, Pansu RB
217 - 222	Theoretical study of electronic structures and magnetic properties in iron clusters (n <= 8) Yu SQ, Chen SG, Zhang WW, Yu LH, Yin YS
223 - 227	Apparent longitudinal relaxation in solutions with intermolecular dipolar interactions and slow chemical exchange Zhang SC, Zhu XQ, Chen Z, Cai SH, Zhong JH
228 - 232	Assignments of the Mossbauer spectra of an inorganic [8fe-7S] complex based on the first-principle calculations Shoji M, Saito T, Takeda R, Kitagawa Y, Kawakami T, Yamanaka S, Okumura M, Yamaguchi K
233 - 236	Monte Carlo approach to estrada index Gutman I, Radenkovic S, Graovac A, Plavsic D