1 - 6 |
Coordination and solvation of V+ with ammonia molecules: Infrared photodissociation spectroscopy of V+(NH3)(n) (n=4-8) Koga N, Ohashi K, Furukawa K, Imamura T, Judai K, Nishi N, Sekiya H |
7 - 10 |
Chemical control through dissociative electron attachment - A study on pentafluorotoluene, pentafluoroaniline and pentafluorophenol Omarsson B, Bjarnason EH, Ingolfsson O, Haughey S, Field TA |
11 - 14 |
Disulfidicity: A scale to characterize the disulfide bond strength via the hydrogenation thermodynamics Galant NJ, Lee DR, Fiser B, Wang H, Dawson SSH, Ding VZY, Setiadi DH, Mucsi Z, Viskolcz B, Jensen SJK, Csizmadia IG |
15 - 18 |
Ab initio prediction of vibrational states of the HeCuF helium-containing complex Tanaka T, Takayanagi T, Taketsugu T, Ono Y |
19 - 23 |
Penning ionization electron spectroscopy of water molecules by metastable neon atoms Brunetti B, Candori P, Cappelletti D, Falcinelli S, Pirani F, Stranges D, Vecchiocattivi F |
24 - 29 |
A gold cyano complex in nitromethane: MD simulation and X-ray diffraction Probst M, Injan N, Megyes T, Bako I, Balint S, Limtrakul J, Nazmutdinov R, Mitev PD, Hermansson K |
30 - 34 |
Molecular dynamics prediction of density for metastable liquid noble metals Wang HP, Yang SJ, Wei B |
35 - 38 |
Luminescence and decay kinetic mechanism of Pr3+ center in Lu0.8Sc0.2BO3 host Wu YT, Jary V, Ren GH, Nikl M, Ding DZ, Pan SK, Yang F |
39 - 44 |
On the relationships between guest molecular dynamics and free volume in a series of small molecular and polymer glass-formers Svajdlenkova H, Sausa O, Iskrova-Miklosovicova M, Majernik V, Kristiak J, Bartos J |
45 - 49 |
Changes in the electric dipole moments and molecular polarizabilities of enol and keto forms of 2-(2'-hydroxyphenyl)benzimidazole along the proton transfer reaction path in a PMMA film Furukawa K, Yamamoto N, Nakabayashi T, Ohta N, Amimoto K, Sekiya H |
50 - 53 |
Computational study of the cerium(III) ion in aqueous environment Lutz OMD, Hofer TS, Randolf BR, Rode BM |
54 - 57 |
Temperature coefficients of the refractive index for hydrocarbons and binary mixtures Wen Q, Shen J, Shi Z, Dy E, Michaelian KH, Fairbridge C, Astrath NGC, Rohling JH, Baesso ML |
58 - 63 |
The presence of Ti(II) centers in doped nanoscale TiO2 and TiO2-xNx Mikulas T, Fang ZT, Gole JL, White MG, Dixon DA |
64 - 69 |
Structure, stability and bonding in the Au-1(10) clusters David J, Guerra D, Restrepo A |
70 - 73 |
Tunable nonlinear optical properties of PDA/Ag composite vesicles based on reversible host-guest interaction Rao JA, Jiang H, Wang J, Zou G, Zhang QJ |
74 - 78 |
Fabrication, structure, and photocatalytic activities of boron-doped ZnO nanorods hydrothermally grown on CVD diamond film Yu Q, Li J, Li HD, Wang QL, Cheng SH, Li LA |
79 - 82 |
Hydrogenation of lower alkenes and conjugated diene catalyzed by Ga2O3 Shishido T, Kuno H, Teramura K, Tanaka T |
83 - 88 |
Diameter dependent photocatalytic activity of ZnO nanowires grown by vapor transport technique Mohan R, Krishnamoorthy K, Kim SJ |
89 - 93 |
A comparative DFT study of the catalytic activity of MnO2 (211) and (2-2-1) surfaces for an oxygen reduction reaction Li L, Wei ZD, Chen SG, Qi XQ, Ding W, Xia MR, Li R, Xiong K, Deng ZH, Gao YY |
94 - 101 |
Hybrid C-nanotubes/Si 3D nanostructures by one-step growth in a dual-plasma reactor Toschi F, Orlanducci S, Guglielmotti V, Cianchetta I, Magni C, Terranova ML, Pasquali M, Tamburri E, Matassa R, Rossi M |
102 - 106 |
A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes Huang J, Wang WY, Yang SF, Su HB, Li QX, Yang JL |
107 - 111 |
Experimental and theoretical studies on carbon surface modification by reduction of in situ generated diazonium salt Omrani A, Rostami AA, Yazdizadeh N, Khoshroo M |
112 - 117 |
Preparation and characterization of CS-Fe3O4@ZnS:Mn magnetic-fluorescent nanoparticles in aqueous media Liu L, Xiao L, Zhu HY |
118 - 122 |
Tuning to the plasmonic eigenfrequency and determining its decay rate in a spherical noble metal nanoshell Friedberg R, Manassah JT |
123 - 127 |
Biwire structure of methanol inside carbon nanotubes Nakamura Y, Ohno T |
128 - 132 |
Dye-sensitized solar cells based on nitrogen-doped TiO2-B nanowire/TiO2 nanoparticle composite photoelectrode Qi LH, Li CY, Chen YJ |
133 - 138 |
Carrier recombination dynamics through defect states of ZnO nanocrystals: From nanoparticles to nanorods Layek A, Manna B, Chowdhury A |
139 - 143 |
Impact of vacuum anneal at low temperature on Al2O3/In-based III-V interfaces Martinez E, Grampeix H, Desplats O, Herrera-Gomez A, Ceballos-Sanchez O, Guerrero J, Yckache K, Martin F |
144 - 150 |
Atomic stress tensor analysis of proteins Ishikura T, Hatano T, Yamato T |
151 - 156 |
Study of the reactive excited-state dynamics of delipidated bacteriorhodopsin upon surfactant treatments Cheng CW, Lee YP, Chu LK |
157 - 162 |
Phase separation in crowded micro-spheroids: DNA-PEG system Biswas N, Ichikawa M, Datta A, Sato YT, Yanagisawa M, Yoshikawa K |
163 - 167 |
Addressing the Coulomb potential singularity in exchange-correlation energy integrals with one-electron and two-electron basis sets Cuevas-Saavedra R, Ayers PW |
168 - 171 |
Understanding chemical binding using the Berlin function and the reaction force Chakraborty D, Cardenas C, Echegaray E, Toro-Labbe A, Ayers PW |
172 - 174 |
Local spins: Improving the treatment for single determinant wave functions Mayer I |
175 - 179 |
Band gap engineering of compensated (N, H) and (C, 2H) codoped anatase TiO2: A first-principles calculation Li M, Zhang JY, Guo D, Zhang Y |
180 - 185 |
Near-ultraviolet inverse photoemission spectroscopy using ultra-low energy electrons Yoshida H |
186 - 190 |
An improved localized molecular-orbital assembler approach for Hartree-Fock calculations of general large molecules Guo Y, Li W, Li SH |
191 - 196 |
A generalized relative complexity: Application to atomic one-particle densities Bouvrie PA, Angulo JC, Antolin J |
197 - 203 |
Functionalized electrophoretic deposition of CdSe quantum dots onto TiO2 electrode for photovoltaic application Poulose AC, Veeranarayanan S, Varghese SH, Yoshida Y, Maekawa T, Kumar DS |
204 - 208 |
SMILES-based QSPR model for half-wave potentials of 1-phenyl-5-benzyl-sulfanyltetrazoles using CORAL Toropov AA, Nesmerak K |
209 - 213 |
Muonic alchemy: Transmuting elements with the inclusion of negative muons Moncada F, Cruz D, Reyes A |
214 - 217 |
Temperature-induced oscillating electric dipole in conjugated systems Roncaratti LF, Gargano R, Neto PHD, da Cunha WF, da Silva DA, Silva GME |
218 - 221 |
Quantum mechanical/effective fragment potential molecular dynamics (QM/EFP-MD) study on intra-molecular proton transfer of glycine in water Choi CH, Re S, Feig M, Sugita Y |
222 - 228 |
Theoretical study of two I-h-symmetry-breaking C-60 isomers and their chlorinated species in core-excited and ground states Qi JY, Hua WJ, Gao B |
229 - 233 |
Scanning cavity-enhanced droplet spectroscopy: Tuning of the excitation laser for obtaining a continuous Raman spectrum Hoshino-Nagasaka M, Isoda T, Takeshima T, Kohno JY |
234 - 238 |
Validity of the Bersohn-Zewail model beyond justification Petersen J, Henriksen NE, Moller KB |
239 - 244 |
Stability of the beta-structure in prion protein: A molecular dynamics study based on polarized force field Xu ZJ, Lazim R, Mei Y, Zhang DW |
245 - 251 |
Restoring symmetry in two-dimensional solid-state NMR correlation spectra Herbert-Pucheta JE, Pelupessy P, Bodenhausen G, Tekely P |
252 - 252 |
Structure and stability of the Si4Lin (n = 1-7) binary clusters (vol 522, pg 67, 2012) Osorio E, Villalobos V, Santos JC, Donald KJ, Merino G, Tiznado W |
253 - 253 |
Absorption cross section at 3.39 mu m of alkanes, aromatics and substituted hydrocarbons (vol 531, pg 22, 2012) Mevel R, Boettcher PA, Shepherd JE |