1 - 7 |
Molecular alignment and rotational dynamics in ordered media analyzed by means of gradient-expansion and genetic algorithms Fisz JJ |
8 - 12 |
Genetic algorithms optimization approach supported by the first-order derivative and Newton-Raphson methods: Application to fluorescence spectroscopy Fisz JJ, Buczkowski M, Budzinski MP, Kolenderski P |
13 - 17 |
Electronic polarization in liquid acetonitrile: A sequential Monte Carlo quantum mechanics investigation Rivelino R, Cabral BJC, Coutinho K, Canuto S |
18 - 22 |
Unexpected intramolecular interactions in Ru-3(CO)(12): An experimental charge density study at 120 K Gervasio G, Bianchi R, Marabello D |
23 - 29 |
Molecular dynamics simulation of single DNA stretching reveals a novel structure Lohikoski R, Timonen J, Laaksonen A |
30 - 34 |
Dispersed fluorescence spectra of jet-cooled 7-azaindole-(H2O)(n) (n=1-3): Does photoinduced excited-state proton transfer occur or not? Hara A, Sakota K, Nakagaki M, Sekiya H |
35 - 39 |
pi-pi interaction enhancement on the ultrafast third-order optical nonlinearity of carbon nanotubes/polymer composites Wang ZW, Liu CL, Liu ZG, Xiang H, Li Z, Gong QH |
40 - 47 |
Morphing the ground state potential of the hydrogen-bonded complex HBr-HBr McElmurry BA, Lucchese RR, Bevan JW, Belov SP, Leonov II |
48 - 52 |
On enzymatic pH oscillations in CSTR with outlet regulator Ohmori T, Yu WF, Yamamoto T, Endo A, Nakaiwa M, Amemiya T, Yamaguchi T |
53 - 57 |
New options for measuring molecular diffusion in zeolites by MAS PFG NMR Pampel A, Fernandez M, Freude D, Karger J |
58 - 62 |
Recognition of substituted cytosine derivatives by the base pairing with guanine connected to pyrene Kawai T, Ikegami M, Kawai K, Majima T, Nishimura Y, Arai T |
63 - 67 |
Novel 4D numerical representation of DNA sequences Chi R, Ding KQ |
68 - 72 |
Electrochemical nitration of single-wall carbon nanotubes Wang YB, Malhotra SV, Owens FJ, Iqbal Z |
73 - 77 |
Some properties of the topological bond order Gutman I, Radenkovic S, Furtula B, Hosoya H |
78 - 82 |
Spectroscopic observation of electronically excited SO (A''(3)Sigma(+)) Wang HM, Tang XS, Zhou SK, Zhang WJ, Chu YA |
83 - 86 |
Preparation and characterization of three-dimensional mesoporous crystals of tungsten oxide Yue B, Tang HL, Kong ZP, Zhu K, Dickinson C, Zhou WZ, He HY |
87 - 90 |
Air-stable ambipolar organic field-effect transistors based on phthalocyanince composites heterojunction Wang J, Wang HB, Yan XJ, Huang HC, Yan DH |
91 - 94 |
Growth temperature controlled shape variety of ZnO nanowires Meng XQ, Zhao DX, Zhang JY, Shen DZ, Lu YM, Liu YC, Fan XW |
95 - 99 |
N-channel organic field-effect transistors using N,N'-ditridecylperylene-3,4,9,10-tetracarboxylic diimide and a polymeric dielectric Unni KNN, Pandey AK, Nunzi JM |
100 - 104 |
Mass analyzed threshold ionization spectroscopy of anisole cation and the OCH3 substitution effect Pradhan M, Li CY, Lin JL, Tzeng WB |
105 - 109 |
The influence of ring strain and conjugation on the reaction energies of the NO2 fission of nitramines: A DFT study Zhao QH, Zhang SW, Li QS |
110 - 113 |
Photocatalytic reduction of cadmium on TiO2-nanoparticles modified with amino acids Ruvarac-Bugarcic IA, Saponjic ZV, Zec S, Rajh T, Nedeljkovic JM |
114 - 118 |
Photophysical investigations of the solvent polarity effect on the properties of coumarin-6 dye Satpati AK, Kumbhakar M, Maity DK, Pal H |
119 - 123 |
Photoinduced electron transfer from chlorin p6 to methyl viologen in aqueous micelles Mukherjee TK, Mishra PP, Datta A |
124 - 128 |
Visible light emission upon near-infrared excitation in a transparent solution of nanocrystalline beta-NaGdF4 : Yb3+, Er3+ Aebischer A, Heer S, Biner D, Kramer K, Haase M, Gudel HU |
129 - 134 |
Relaxation of vibrational energy in fullerene suspensions Huxtable ST, Cahill DG, Shenogin S, Keblinski P |
135 - 138 |
Ab initio path integral simulation study on O-16/O-18 isotope effect in water and hydronium ion Tachikawa M, Shiga M |
139 - 142 |
The mechanism of strong calcium-poly (9,9-dioctylfluorene) interaction Sun SL, Zhang RQ |
143 - 146 |
Connection between the average local ionization energy and the Fukui function Toro-Labbe A, Jaque P, Murray JS, Politzer P |
147 - 152 |
Magnetic exchange of trinuclear spin frustration system: CASPT2 and density functional theory study on hydroxo-bridged chromium complex [Cr-3(NH3)(10)(OH)(4)]center dot Br-5 Wei HY, Wang BW, Chen ZD |
153 - 158 |
Fullerene C-50: Sphericity takes over, not strain Diaz-Tendero S, Alcami M, Martin F |
159 - 165 |
Influence of isotherm inflection on the diffusivities of C5-C8 linear alkanes in MFI zeolite Krishna R, van Baten JM |
166 - 170 |
Theoretical investigations on the vibronic coupling between the electronic states S-0 and S-1 of formic acid including the photodissociation at 248 nm Borges I, Rocha AB, Martinez-Nunez E, Vazquez S |
171 - 175 |
The breakdown of linear response theory in non-polar solvation dynamics Bernardi E, Martins MM, Stassen H |
176 - 179 |
Magnetic properties of Co/Cu and Co/Pt bimetallic clusters Lu QL, Zhu LZ, Ma L, Wang GH |
180 - 185 |
Dissociative and associative attachment of OH to iron clusters Gutsev GL, Mochena MD, Bauschlicher CW |
186 - 191 |
Mass spectrometric study on the neutral nanocluster [Cd32Se14(SePh)(36)L-4] (L = THF, OPPh3) upon charged ligand exchange Eichhofer A, Hampe O |
192 - 198 |
Free-jet rotational spectrum and tunneling motion in difluoromethane center dot center dot center dot krypton Maris A, Melandri S, Caminati W, Rossi I |
199 - 204 |
Zip gating of the KcsA channel studied by targeted molecular dynamics Compoint M, Picaud F, Ramseyer C, Girardet C |
205 - 208 |
Four-color map representation of DNA or RNA sequences and their numerical characterization Randic M, Lers N, Plavsic D, Basak SC, Balaban AT |
209 - 212 |
Strain-induced charge separation in the photocatalytic single crystalline anatase TiO2 film Kamei M, Miyagi T, Ishigaki T |
213 - 216 |
On the principle of maximum overlap in molecular orbital theory Magnasco V |
217 - 221 |
Time-resolved kinetic studies on quenching of C-2 (d(3)Pi g 3) by alkanes and substituted methane molecules Wang HL, Zhu ZQ, Zhang SH, Pei LS, Chen Y |
222 - 226 |
Structure and stability of thiophene-hydrogen halide complexes: An ab initio molecular orbital study Huang DM, Wang YB, Visco LM, Tao FM |
227 - 231 |
Simulating temperature programmed desorption directly from density functional calculations: How adsorbate configurations relate to desorption features van Bavel AP, Ferre DC, Niemantsverdriet JW |
232 - 235 |
Catalytic CVD synthesis of double-walled carbon nanotubes with a narrow distribution of diameters over Fe-Co/MgO catalyst Liu BC, Yu B, Zhang MX |
236 - 241 |
Effect of protonation on the photophysical properties of meso-tetra(sulfonatophenyl) porphyrin Goncalves PJ, De Boni L, Neto NMB, Rodrigues JJ, Zilio SC, Borissevitch IE |