165 - 178 |
W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data Karton A, Daon S, Martin JML |
179 - 184 |
Laser synthesis of Pt, Pd, CoO and Pd-CoO nanoparticle catalysts supported on graphene Moussa S, Abdelsayed V, El-Shall MS |
185 - 190 |
Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn-Sham approach for calculation of dipole-quadrupole polarizability Shedge SV, Pal S, Koster AM |
191 - 196 |
The high sensitivity absorption spectrum of ozone (O-18(3) and O-16(3)) near 7800 cm(-1): Identification of the (3)A(2)(000)-X(110) hot band superimposed to very weak vibrational bands Mondelain D, Kassi S, Jost R, Campargue A |
197 - 201 |
Modeling reaction pathways of low energy particle deposition on thiophene via ab initio calculations Crenshaw JD, Phillpot SR, Iordanova N, Sinnott SB |
202 - 207 |
Stokes' shift dynamics in alkylimidazolium aluminate ionic liquids: Domination of solute-IL dipole-dipole interaction Daschakraborty S, Biswas R |
208 - 211 |
Simulation of vibrational dephasing in liquid water using the semiclassical Liouville method Hogan PA, Fredj E, Martens CC |
212 - 219 |
Light sensitive achiral polar polymeric composites Gonzalez-Henriquez CM, Soto-Bustamante EA, Vergara-Toloza RO, Haase W |
220 - 223 |
Theoretical study on the adsorption of pyridine derivatives on graphene Voloshina EN, Mollenhauer D, Chiappisi L, Paulus B |
224 - 227 |
Structures and energies of iron promoted gamma-Al2O3 surface: A computational study Feng G, Huo CF, Li YW, Wang JG, Jiao HJ |
228 - 233 |
Photoexcitation and electron injection processes in azo dyes adsorbed on nanocrystalline TiO2 films Nakajima K, Ohta K, Katayanagi H, Mitsuke K |
234 - 236 |
Surface-chemistry-sensitive spectral features of In-Ga-Zn-O thin film: Cleaned, air-passivated, and sputter-phase-separated surfaces Kang SJ, Baik JY, Thakur A, Kim HD, Shin HJ, Chung J, Lee J, Lee J |
237 - 241 |
Dispersion of quadratic nonlinearity of polarized films of chromophore-containing polyimides in the range of resonance absorption Yakimansky AV, Nosova GI, Solovskaya NA, Smirnov NN, Plekhanov AI, Simanchuk AE, Gorkovenko AI |
242 - 245 |
Optical properties of In2O3 octahedra nano-beads grown on ZnO nanowires Sahoo S, Gaur APS, Arora AK, Katiyar RS |
246 - 251 |
Magnetism induced by D3-symmetry tetra-vacancy defects in graphene Bao ZQ, Shi JJ, Yang M, Zhang SA, Zhang M |
252 - 256 |
Adsorption of BMP-2 on a hydrophobic graphite surface: A molecular dynamics study Mucksch C, Urbassek HM |
257 - 260 |
Influence of the energy transfer in a single donor-acceptor pair on the photon distribution functions in its fluorescence Osad'ko IS, Shchukina AL |
261 - 266 |
4f-in-core model core potentials for trivalent lanthanides Fujiwara T, Mori H, Mochizuki Y, Osanai Y, Miyoshi E |
267 - 272 |
Correlation function, response function and effective temperature of gene networks Feng HD, Wang J |
273 - 277 |
Theoretical observations of pi-systems as sodium bond donors Li ZF, Zhang XT, Li HX, Zhu YC, Yang XP |
278 - 278 |
First-principles calculations of phase transition and bulk modulus of PtC (vol 496, pg 64, 2010) Sun XW, Zeng ZY, Song T, Fu ZJ, Kong B, Chen QF |