1 - 11 |
Biological water: A critique Zhong DP, Pal SK, Zewail AH |
12 - 17 |
Theoretical study of H-2 dissociation on a ZrO2 cluster Syzgantseva O, Calatayud M, Minot C |
18 - 24 |
Structure of vibrational bands of the E-3 Sigma(+) (6(3)S(1)) <-A(3)Pi(0+) (5(3)P(1)), B-3 Sigma(+)(1) (5(3)P(1)) transitions in CdAr and CdKr studied by optical-optical double resonance method Urbanczyk T, Strojecki M, Koperski J |
25 - 28 |
Selected cis- and trans-p-methoxystyrene rotamers studied by mass-analyzed threshold ionization spectroscopy Qin CC, Tzeng SY, Zhang B, Tzeng WB |
29 - 32 |
On the stability of S(OF)(2): A coupled-cluster analysis of the structures and thermochemical properties for conformers of sulfur-oxyfluorides Napolion B, Anthony J, Thompson P, McClendon EE, Walters WL, Williams QL |
33 - 38 |
Experimental and theoretical study of the reactions of iron and manganese oxides with dinitrogen in a cryogenic matrix Lu ZH, Xu Q |
39 - 44 |
Assessment of DFT functionals for the calculation of interaction-induced electric properties of molecular complexes Zawada A, Kaczmarek-Kedziera A, Bartkowiak W |
45 - 48 |
Charge transfer dynamics of carbon ions with uracil and halouracil targets at low collision energies Bacchus-Montabonel MC, Tergiman YS |
49 - 52 |
First principles study of Ca2PtO4 in K2NiF4 and'post-K2NiF4' type structures Matar SF, Demazeau G |
53 - 56 |
The structure of FePc on Cu(100) Zhang HJ, Huiqin QA, Dan J, Ateeq-Ur-Rehman, Dou WD, Li HY, He PM, Bao SN |
57 - 60 |
Luminescent microstructures in bulk and thin films of PMMA, PDMS, PVA, and PS fabricated using femtosecond direct writing technique Deepak KLN, Kuladeep R, Rao SV, Rao DN |
61 - 65 |
The origin of ultrafast proton transfer: Multidimensional wave packet motion vs. tunneling Schriever C, Lochbrunner S, Ofial AR, Riedle E |
66 - 70 |
Influence of humidity on the nanoadhesion between a hydrophobic and a hydrophilic surface Ptak A, Gojzewski H, Kappl M, Butt HJ |
71 - 74 |
Structure of the methylthiolate monolayer on Ag (111): The role of substrate vacancies Abufager PN, Soria LA, Martiarena ML, Reuter K, Busnengo HF |
75 - 79 |
Experimental and PCM/TD-DFT investigation on the absorption and emission spectra of a light emitting material in various solvents Liu XJ, Yang D, Ju HD, Teng F, Hou YB, Lou ZD |
80 - 85 |
Site-specific polarizabilities as predictors of favorable adsorption sites on Na-n clusters Ma L, Jackson KA, Jellinek J |
86 - 90 |
Microstructural parameters and optical constants of CdS thin films synthesized with various bath temperature Sharkey JJ, Dhanasekaran V, Lee CW, Peter AJ |
91 - 96 |
Influence of surface chemistry on the electronic properties of graphene nanoflakes Chutia A, Cimpoesu F, Tsuboi H, Miyamoto A |
97 - 100 |
Chemisorbed atomic oxygen inducing Pd segregation in PdAu(111) alloy: Energetic and electronic DFT analysis Guesmi H, Louis C, Delannoy L |
101 - 104 |
Energy level alignments at poly[N-9''-hepta-decanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] on metal and polymer interfaces Seo JH, Cho S, Leclerc M, Heeger AJ |
105 - 111 |
Investigation of interfacial charging and discharging in double-layer pentacene-based metal-insulator-metal device with polyterpenol blocking layer using electric field induced second harmonic generation Bazaka K, Jacob MV, Taguchi D, Manaka T, Iwamoto M |
112 - 117 |
Molecular dynamics simulation of energetic aluminum/palladium core-shell nanoparticles Ngoc HN, Hu AM, Persic J, Wen JZ |
118 - 123 |
Surface-enhanced Raman scattering of size-selected polyynes (C8H2) adsorbed on silver colloidal nanoparticles Hanamura K, Fujii M, Wakabayashi T, Hayashi S |
124 - 128 |
Blue shift of Tm3+ upconversion owing to Nd3+ in yttrium oxide powders pumped by pulsed red laser Rakov N, Maciel GS |
129 - 133 |
DFT study on the NO oxidation on a flat gold surface model Fajin JLC, Cordeiro MNDS, Gomes JRB |
134 - 138 |
Crystal structure and characterization of a novel acentric imidazolium analog [C3N2H5+][Br-] Gagor A, Piecha A, Jakubas R, Miniewicz A |
139 - 144 |
Degree of pyramidality governs the height and peak position of the free-energy-barrier for the cis-trans isomerization of N-Methylacetamide Yonezawa Y, Standley DM, Nakamura H |
145 - 152 |
Multi-Scale Free Energy Landscape calculation method by combination of coarse-grained and all-atom models Harada R, Kitao A |
153 - 156 |
Perturbation theory and the two-level approximation: A corollary and critique Andrews DL, Bradshaw DS, Coles MM |
157 - 161 |
Interference-corrected explicitly-correlated second-order perturbation theory Vogiatzis KD, Barnes EC, Klopper W |
162 - 166 |
A graph theory study on (ZnS)(n) (n=3-10) nanoclusters Mohajeri A, Alipour M, Ahmadi MB |
167 - 170 |
A tunable homonuclear dipolar decoupling scheme for high-resolution proton NMR of solids from slow to fast magic-angle spinning Gan ZH, Madhu PK, Amoureux JP, Trebosc J, Lafon O |
171 - 175 |
A perturbatively corrected tight-binding method with hybridization: Application to gold nanoparticles Rincon L, Hasmy A, Marquez M, Gonzalez C |
176 - 179 |
Single-photon fluorescence enhancement in IR144 by phase-modulated femtosecond pulses Zhang H, Zhang SA, Lu CH, Jia TQ, Wang ZG, Sun ZR |
180 - 184 |
Dipole induced transitions in an anharmonic oscillator: A dynamical mean field model Berrondo M, Recamier J |
185 - 185 |
The use of unsymmetrical one-range addition theorems of Slater type orbitals for the calculation of intermolecular Coulomb interaction energy (vol 501, pg 594, 2011) Guseinov II, Mamedov BA |