1 - 7 |
Amplitude-modulated low-power decoupling sequences for fast magic-angle spinning NMR Agarwal V, Tuherm T, Reinhold A, Past J, Samoson A, Ernst M, Meier BH |
8 - 13 |
Halogen-halogen interaction in view of many-body approach Dominikowska J, Palusiak M |
14 - 17 |
An abnormal phenomenon on O-2(a(1)Delta) deactivation by deuterated alcohols Wang JH, Leng J, Yang HP, Sha GH, Zhang CH |
18 - 22 |
Theoretical prediction of new Kubas four centre H-2 complexes involving dimolybdate clusters Simandiras ED, Liakos DG |
23 - 27 |
Analysis of the formation of CH+ in collision of C2+ ions with molecular hydrogen Bacchus-Montabonel MC, Wiesenfeld L |
28 - 33 |
Ab initio study and spectral simulation of the (X)over-tilde(1)A(1) <-(X)over-tilde(2)B(1) photodetachment processe of dichlorocarbene anion Zhang J, Wang G, Zheng QH, Ma JG |
34 - 37 |
Effect of heat transfer on the kinetics of methane hydrate dissociation Misyura SY |
38 - 41 |
Energy level alignment in Au/pentacene/PTCDA trilayer stacks Sehati P, Braun S, Fahlman M |
42 - 48 |
Bulk and (1 1 (2)over-bar 0) surface properties of beta-Pu2O3: A theoretical study using DFT with exact exchange for correlated electrons Atta-Fynn R, Ray AK |
49 - 53 |
Why is the CO2-CS2 non-ideality larger than in CO2-CCl4? A Raman scattering study Besnard M, Cabaco MI, Coutinho JAP, Danten Y |
54 - 59 |
Spectroscopic evidence of reversible micro-crystallization of carbon dioxide dissolved in solid xenon Rutkowski KS, Melikova SM, Herrebout WA, van der Veken BJ |
60 - 63 |
Fluorescence vesicles by self-assembly of oligo(biphenylene vinylene) bolaamphiphiles in n-hexane Hwang IW, Kim YR |
64 - 68 |
Estimation of ice-water interfacial energy based on pressure-dependent formulation of classical nucleation theory Nemec T |
69 - 73 |
Solvent effect on excited states of merocyanines: A theoretical study using the RISM-SCF method Tanaka Y, Yoshida N, Nakano H |
74 - 79 |
High-k ZrO2 dielectric thin films on GaAs semiconductor with reduced regrowth of native oxides by atomic layer deposition Konda RB, White C, Smak J, Mundle R, Bahoura M, Pradhan AK |
80 - 86 |
A hybrid MC/MD reaction method with rare event-driving mechanism: Atomistic realization of 2-chlorobutane racemization process in DMF solution Nagaoka M, Suzuki Y, Okamoto T, Takenaka N |
87 - 91 |
Thin micropatterned multi-walled carbon nanotube films for electrodes Halonen N, Maklin J, Rautio AR, Kukkola J, Uusimaki A, Toth G, Reddy LM, Vajtai R, Ajayan PM, Kordas K |
92 - 96 |
The role of acceptor-rich domain in optoelectronic properties of photovoltaic diodes based on polymer blends Dou F, Silva C, Zhang XP |
97 - 102 |
High magnetic moments on binary yttrium-alkali superatoms Gonzalez-Ramirez H, Reveles JU, Gomez-Sandoval Z |
103 - 108 |
Structural and morphological features of crystalline nanotitania synthesized in different aqueous media Myronyuk LI, Myronyuk IF, Chelyadyn VL, Sachko VM, Nazarkovsky MA, Leboda R, Skubiszewska-Zieba J, Gun'ko VM |
109 - 113 |
Ab-initio study of anisotropy and nonuniaxial anisotropy coefficients in Pd nanochains Kumar P, Skomski R, Manchanda P, Kashyap A |
114 - 118 |
Breathing-trap mechanism for encapsulation of atomic hydrogen in C-60 Long ZQ, Zhou X, Cai H, Chen C, Miao L, Allen RE |
119 - 124 |
Reactivity of adducts relevant to the deposition of hexagonal BN from first-principles calculations Freitas RRQ, Gueorguiev GK, Mota FD, de Castilho CMC, Stafstrom S, Kakanakova-Georgieva A |
125 - 130 |
Dynamical properties of physically adsorbed water molecules at the TiO2 rutile-(110) surface English NJ |
131 - 136 |
Theoretical study on the magic character of In6Na2 cluster Liu YZ, Yuan YB, Xiao CY, Deng KM |
137 - 140 |
Stability of germanene under tensile strain Kaloni TP, Schwingenschlogl U |
141 - 145 |
Core-shell homoepitaxial silicon nanowires Adachi MM, Karim KS |
146 - 150 |
Solvent-free catalytic dehydrative etherification of benzyl alcohol over graphene oxide Yu HY, Wang XD, Zhu YS, Zhuang GL, Zhong X, Wang JG |
151 - 154 |
Subresonantly excited Nd3+ fluorescence in LiLa1-xNdxP4O12 nanocrystals Marciniak L, Strek W, Hreniak D |
155 - 159 |
Conductivity of graphene oxide films: Dependence from solvents and photoreduction Smirnov VA, Denisov NN, Ukshe AE, Shulga YM |
160 - 164 |
Polarization dependent two-photon absorption spectroscopy on a naturally occurring biomarker (curcumin) in solution: A theoretical-experimental study Tiburcio-Moreno JA, Alvarado-Gil JJ, Diaz C, Echevarria L, Hernandez FE |
165 - 169 |
Hydrogen release from charged fragments of the uracil cation followed by their fragmentation: A DFT study Arani LS, Mignon P, Abdoul-Carime H, Farizon B, Farizon M, Chermette H |
170 - 174 |
Molecular self-organization: A single molecule aspect Christophorov LN, Kharkyanen VN, Berezetskaya NM |
175 - 179 |
Metal-dependent inhibition of HIV-1 integrase by 5CITEP inhibitor: A theoretical QM/MM approach do Nascimento JP, Silva JRA, Lameira J, Alves CN |
180 - 184 |
Theoretical analysis of the proton transfer and internal rotation in 2-methylmalonaldehyde Gulaczyk I, Kreglewski M |
185 - 189 |
A theoretical study on the structural dependences of third-order optical nonlinearities of heterocycle-substituted polymethine cyanine chromophores Wang C, Yuan YZ, Tian XH, Sun JY, Shao HJ, Sun ZR |
190 - 197 |
Theoretical study on the mechanism and kinetics of acetaldehyde and hydroperoxyl radical: An important atmospheric reaction Farnia S, Vahedpour M, Abedi M, Farrokhpour H |
198 - 202 |
Photophysical properties of 3-(9-anthrylmethyl) pentane-2,4-dione Kawade V, Kumbhar A, Sapre A, Kumbhar A |
203 - 208 |
Locating transition states on potential energy surfaces by the gentlest ascent dynamics Bofill JM, Quapp W, Caballero M |
209 - 212 |
Entropy generation: From outside to inside! Lucia U |
213 - 217 |
Solvent effect on UV/Vis absorption and emission spectra in aqueous solution based on a modified form of solvent reorganization energy Ren HS, Ming MJ, Zhu J, Ma JY, Li XY |
218 - 221 |
TD-DFT study of the pK(a)* for coumarins Houari Y, Jacquemin D, Laurent AD |