163 - 170 |
Accurate simulations of metals at the mesoscale: Explicit treatment of 1 million atoms with quantum mechanics Hung L, Carter EA |
171 - 174 |
Accelerated dynamics of supercooled glycerol in soft confinement Blochowicz T, Gouirand E, Fricke A, Spehr T, Stuhn B, Frick B |
175 - 182 |
State-resolved rotational cross sections and thermal rate coefficients for ortho-/para-H-2 + HD at low temperatures and HD plus HD elastic scattering Sultanov RA, Khugaev AV, Guster D |
183 - 187 |
Active control of the molecular rotational wave packet using two laser pulses Li YX, Liu P, Zhao ST, Zeng ZA, Li RX, Xu ZZ |
188 - 192 |
Theoretical study on the oxidative addition of methyl fluoride to Ru+ Bernabe E, Mendez O, Colmenares F |
193 - 197 |
A computational study of the photosomerization reactions of bicyclic cyclopropene Su MD |
198 - 201 |
Determining the internal rotations of p-thiocresol Hellweg A |
202 - 207 |
O-atom transfer reaction from N2O to CO: A theoretical investigation Wang Y, Fu G, Zhang Y, Xu X, Wan HL |
208 - 214 |
Collision energy dependence of the reactions of metastable Ne (2p(5)3s P-3(2), P-3(0)) with small molecules Noroski JH, Siska PE |
215 - 219 |
Increased CO adsorption on supported VIB and IB metals Fernandez S, Alikhani E, Markovits A, Skalli MK, Minot C |
220 - 222 |
Efficient S-2 state production in ZnTPP-PMMA thin films by triplet-triplet annihilation: Evidence of solute aggregation in photon upconversion systems O'Brien JA, Rallabandi S, Tripathy U, Paige MF, Steer RP |
223 - 226 |
Kinetics of hydrogen uptake by scavenger molecules - Insights from molecular modeling Maiti A, Dinh LN, Baumann TF, Maxwell RS, Saab AP |
227 - 231 |
Multiple K-shell excitation of lithium clusters: Implications for hollow-atom solids Kitamura H |
232 - 234 |
Pyridine as axial ligand on the [Mo6Cl8](4+) core switches off luminescence Ramirez-Tagle R, Arratia-Perez R |
235 - 239 |
Verification of the electron/proton coupled mechanism for phenolic H-atom transfer using a triplet pi,pi* carbonyl Yamaji M, Oshima J, Hidaka M |
240 - 244 |
Simultaneous multi-photon ionization of aromatic molecules in polymer solids with ultrashort pulsed lasers Guo J, Togami T, Benten H, Ohkita H, Ito S |
245 - 249 |
Two-photon absorption properties of Zn(II) complexes: Unexpected large TPA cross section of dipolar [ZnY2(4,4'-bis(para-di-n-butylaminostyryl)-2,2'-bipyridine)] (Y = Cl, CF3CO2) Dragonetti C, Balordi M, Colombo A, Roberto D, Ugo R, Fortunati I, Garbin E, Ferrante C, Bozio R, Abbotto A, Le Bozec H |
250 - 255 |
A novel near IR two-photon absorbing chromophore: Optical limiting and stabilization performances at an optical communication wavelength Zheng QD, He GS, Prasad PN |
256 - 259 |
Effects of thermal treatment on the third-order optical nonlinearity and ultrafast dynamics of Ag nanoparticles embedded in silicate glasses Yang XC, Dong ZW, Liu HX, Xu JX, Qian SX |
260 - 263 |
Superior field emission properties of ZnO nanocones synthesized by pulsed laser deposition Bae J, Hong JI, Han WH, Choi YJ, Snyder RL |
264 - 268 |
Growth and melting of nanoparticles in liquid iron: A molecular dynamics study Shibuta Y, Watanabe Y, Suzuki T |
269 - 271 |
Polarization-dependent C K near-edge X-ray absorption fine-structure of graphene Papagno M, Rodriguez AF, Girit CO, Meyer JC, Zettl A, Pacile D |
272 - 276 |
Stark spectroscopy of charge-transfer transitions in catechol-sensitized TiO2 nanoparticles Nawrocka A, Zdyb A, Krawczyk S |
277 - 284 |
Cu2+ complexes of some AGEs inhibitors Ortega-Castro J, Adrover M, Frau J, Donoso J, Munoz F |
285 - 288 |
Improvement in hydrogen bond description using van der Waals-corrected DFT: The case of small water clusters Silvestrelli PL |
289 - 292 |
Quantitative study of the PCP effect Radenkovic S, Durdevic J, Gutman I |
293 - 297 |
Potential energy landscape of the (H2O)(6)(-) cluster Choi TH, Jordan KD |
298 - 301 |
Elimination of spurious solutions of the Dirac equation using the Lanczos algorithm Andrew RC, Miller HG, Yen GD |