1 - 10 |
Analysing the chromium-chromium multiple bonds using multiconfigurational quantum chemistry Brynda M, Gagliardi L, Roos BO |
11 - 16 |
In situ growth of SnO2 nanowires on the surface of Au-coated Sn grains using water-assisted chemical vapor deposition Yin WY, Wei BQ, Hu CW |
17 - 21 |
Carbohydrate-aromatic interactions: A computational and IR spectroscopic investigation of the complex, methyl alpha-L-fucopyranoside center dot toluene, isolated in the gas phase Su Z, Cocinero EJ, Stanca-Kaposta EC, Davis BG, Simons JP |
22 - 28 |
Ab-initio calculation of the ground and excited states of MgH using a pseudopotential approach Mestdagh JM, de Pujo P, Soep B, Spiegelman F |
29 - 35 |
Excitation spectra of CdRg (Rg = He, Ne, Xe) complexes recorded at the D-1 Sigma(+)(0) <- X-1 Sigma(+)(0) transition: From the heaviest CdXe to the lightest CdHe Strojecki M, Krosnicki M, Lukomski M, Koperski J |
36 - 40 |
Hydrogen bonding interaction in complexes of hydronium ion with selective chemical species Joshi R, Ghanty TK, Naumov S, Mukherjee T |
41 - 44 |
Effect of the vibrational excitation on the non-radiative deactivation rate of the S-1 state of p-cresol(NH3) complex Oldani AN, Mobbili M, Marceca E, Ferrero JC, Pino GA |
45 - 49 |
Observation of collision-induced near-IR emission of singlet oxygen O-2 a(1)Delta(g) generated by visible light excitation of gaseous O-2 dimol Furui E, Akai N, Ida A, Kawai A, Shibuya K |
50 - 53 |
Infrared spectroscopy for acetone and its dimer based on photoionization detection with tunable coherent vacuum-ultraviolet light Matsuda Y, Ohta K, Mikami N, Fujii A |
54 - 58 |
A new ab initio potential energy surface for the Ne-H-2 interaction Lique F |
59 - 64 |
State-to-state quasi-classical trajectory study of the F + CH2D2 reaction Espinosa-Garcia J |
65 - 70 |
Quasi-classical determination of integral cross-sections and rate constants for the N plus OH -> NO plus H reaction Jorfi M, Honvault P, Halvick P |
71 - 74 |
Reorientation of HDO in liquid H2O at different temperatures: Comparison of first and second order correlation functions Tielrooij KJ, Petersen C, Rezus YLA, Bakker HJ |
75 - 79 |
Ti 3p electrons: Core or valence? Deskins NA |
80 - 84 |
Characterization of local structures in amorphous and crystalline tris(8-hydroxyquinoline) aluminum(III) (Alq(3)) by solid-state Al-27 MQMAS NMR spectroscopy Nishiyama Y, Fukushima T, Takami K, Kusaka Y, Yamazaki T, Kaji H |
85 - 91 |
Broadband dielectric response of dichloromethane Hunger J, Stoppa A, Thoman A, Walther M, Buchner R |
92 - 96 |
Influence of protonation upon the conformations of bipiperidine, bimorpholine, and their derivatives Uudsemaa M, Laars M, Kriis K, Tamm T, Lopp M, Kanger T |
97 - 102 |
Selective interaction of a soluble pentacene derivative with metallic single-walled carbon nanotubes Liu CH, Liu YY, Zhang YH, Wei RR, Li BR, Zhang HL, Chen Y |
103 - 105 |
Highly aligned carbon nanotube/polymer composites with much improved electrical conductivities Peng HS, Sun XM |
106 - 110 |
Frequency-controllable electric field distribution in colloidal crystals Zhang LF, Huang JP, Yu KW |
111 - 115 |
Theoretical investigation on the polarizability and second hyperpolarizability of polysilole Champagne B, Spassova M |
116 - 121 |
Heterofullerene molecules C58X (X = S, Se, Te): A DFT study Liu FL |
122 - 127 |
An effective sonication-assisted reduction approach to synthesize highly dispersed Co nanoparticles on SiO2 Lim WTL, Zhong ZY, Borgna A |
128 - 132 |
Interaction and photobinding between 8-methoxypsoralen and thymine Omar S, Eriksson LA |
133 - 135 |
DFT calculation of pK(a)'s for dimethoxypyrimidinylsalicylic based herbicides Delgado EJ |
136 - 142 |
Is the LEPS potential accurate enough to investigate the dissociation of diatomic molecules on surfaces? Martin-Gondre L, Crespos C, Larregaray P, Rayez JC, van Ootegem B, Conte D |
143 - 147 |
First principle simulation of vibrationally resolved A(2)B(1) <-(X)over-tilde(2)A(1) electronic transition of phenyl radical Biczysko M, Bloino J, Barone V |
148 - 152 |
Modelling the polarizability of the dihydrogen-argon pair Bancewicz T, Maroulis G |
153 - 159 |
Evaluation of instrument response functions for lifetime imaging detectors using quenched Rose Bengal solutions Szabelski M, Luchowski R, Gryczynski Z, Kapusta P, Ortmann U, Gryczynski I |
160 - 162 |
Quasi-classical trajectory study of the reaction H plus FO -> OH plus F Zhao J, Xu Y, Yue DG, Meng QT |
163 - 167 |
Polaron transport between DNA segments: annihilating and creating Zhang GQ, Cui P, Wu J, Liu CB |
168 - 173 |
Electrophilicity of quinones and its relationship with hydride affinity Campodonico PR, Aizman A, Contreras R |
174 - 177 |
Bond metallicity of materials from real space charge density distributions Jenkins S, Ayers PW, Kirk SR, Mori-Sanchez P, Pendas AM |