107 - 111 |
EELS femtosecond resolved in 4D ultrafast electron microscopy Carbone F, Barwick B, Kwon OH, Park HS, Baskin JS, Zewail AH |
112 - 118 |
Achieving energy conservation in Poisson-Boltzmann molecular dynamics: Accuracy and precision with finite-difference algorithms Wang J, Cai Q, Li ZL, Zhao HK, Luo R |
119 - 123 |
Resonance enhanced Raman scattering from the complex electric-dipole polarizability: A theoretical study on N-2 Mohammed A, Agren H, Norman P |
124 - 128 |
Electronic states of SiC-: A theoretical study Pramanik A, Banerjee A, Das KK |
129 - 133 |
Relation between bond order and delocalization index of QTAIM Firme CL, Antunes OAC, Esteves PM |
134 - 137 |
A time resolved study of S-1/S-2 electronic coupling in naphthalene Montero R, Longarte A, Martinez R, Rayo MNS, Castano F |
138 - 142 |
A comparative study of modern and robust computational methods applied to pi-complexes of moderate size: The case of the ethene/benzenium ion complex Sancho-Garcia JC |
143 - 147 |
Chromium difluoride: Probing the limits of structure determination Vest B, Schwerdtfeger P, Kolonits M, Hargittai M |
148 - 152 |
Emergence of valence band structure in rare-gas clusters Rolles D, Zhang H, Pesic ZD, Bozek JD, Berrah N |
153 - 157 |
Mass spectra of methyl acetate and ethyl formate Liu M, Wu CY, Wu ZF, Liang QQ, Deng YK, Gong QH, Sun Y, Xu YT, Zhao YJ, Shan XB, Liu FY, Sheng LS |
158 - 161 |
The DFT plus U method in the linear combination of Gaussian-type orbitals framework: Role of 4f orbitals in the bonding of LuF3 Ramakrishnan R, Matveev AV, Rosch N |
162 - 165 |
Atomic configurations of Pd atoms in PdAu(111) and PdAu(100) surface alloys: Ab initio density functional calculations Gotsis HJ, Rivalta I, Sicilia E, Russo N |
166 - 170 |
Near infrared laser spectroscopy of solid parahydrogen: The crystal-field splitting of rovibrational W-1(0) transition Chan MC, Song Y, Yan L |
171 - 175 |
Picosecond time-resolved fluorescence study of poly vinyl methyl ether aqueous solution Sakamaki T, Fujino T, Hosoi H, Tahara T, Korenaga T |
176 - 183 |
Raman spectroscopy of formic acid and its dimers isolated in low temperature argon matrices Olbert-Majkut A, Ahokas J, Lundell J, Pettersson M |
184 - 187 |
Hydration of ions containing aliphatic chains Burakowski A, Glinski J |
188 - 192 |
Pattern transition between periodic Liesegang pattern and crystal growth regime in reaction-diffusion systems Lagzi I, Ueyama D |
193 - 196 |
Direct mass spectrometry investigation on Pentacene thin film oxidation upon exposure to air De Angelis F, Gaspari M, Procopio A, Cuda G, Di Fabrizio E |
197 - 200 |
Nitrous acid under high temperature and pressure - From atomistic simulations to equation of state for thermochemical modeling Maiti A, Bastea S, Howard WM, Fried LE |
201 - 204 |
New insights on the reaction mechanisms for CO oxidation on Au catalysts Molina LM, Lesarri A, Alonso JA |
205 - 210 |
Photophysical properties of Re(pbt)(CO)(4) studied by high resolution spectroscopy Czerwieniec R, Finkenzeller WJ, Hofbeck T, Starukhin A, Wedel A, Yersin H |
211 - 215 |
Electrical conductivity measurement of silicon wire prepared by CVD Suzuki H, Araki H, Tosa M, Noda T |
216 - 221 |
Metastable impurity perturbed states of 2D single carrier quantum dots Hazra RK, Ghosh M, Bhattacharyya SP |
222 - 226 |
Scanning tunneling spectroscopy of gold nanoparticles: Influences of volatile organic vapors and particle core dimensions Xu LP, Chen SW |
227 - 230 |
On the chain length effect: Comparative reactivity of a macroradical and a radical Lalevee J, Allonas X, Fouassier JP |
231 - 233 |
Fluorine addition to single-wall carbon nanotubes revisited Claves D, Rossignol J |
234 - 238 |
On fluorescence blinking of single molecules in polymers Ishitobi H, Kai T, Fujita K, Sekkat Z, Kawata S |
239 - 244 |
Preparation and size optimisation of silica nanoparticles using statistical analyses Davies GL, Barry A, Gun'ko YK |
245 - 248 |
Size-controlled synthesis of monodisperse gold nanooctahedrons and their surface-enhanced Raman scattering properties Kim DH, Heo JW, Kim MJ, Lee YW, Han SW |
249 - 252 |
Shape stability of InAs self-assembled islands on vicinal GaAs(001) substrates Liang S, Zhu HL, Wang W |
253 - 256 |
Luminescence and local structure of Mn-doped ZnS hybrid crystal with two-dimensional platelet morphology Jang JS, Choi SH, Kim ES, Lee JS, Shin N, Lee DR |
257 - 259 |
Half metallicity in a zigzag double-walled nanotube nanodot: An ab initio prediction Du AJ, Zhu ZH, Sun CH, Chen Y, Lu GQ, Smith SC |
260 - 263 |
Fluorination effects on structure and dynamics of phospholipid bilayer: A molecular dynamics study Saito H, Shinoda W, Mikami M |
264 - 269 |
Strong-field ionization of sputtered molecules for biomolecular imaging Willingham D, Kucher A, Winograd N |
270 - 274 |
Polarizable model of chloroform based on classical Drude oscillators Lamoureux G, Faraldo-Gomez JD, Krupin S, Noskov SY |
275 - 279 |
Determination of the time-dependent OH-yield by using fluorescent probe. Application to heavy ion irradiation Baldacchino G, Maeyama T, Yamashita S, Taguchi M, Kimura A, Katsumura Y, Murakami T |
280 - 285 |
Theoretical and crystallographic study of edge-to-face aromatic interactions between pyridine moieties and benzene Escudero D, Estarellas C, Frontera A, Quinonero D, Deya PM |
286 - 289 |
Basis set requirements for interactions in ionic systems: LiCl Mintz B, Wilson AK, Bagus PS |
290 - 293 |
Intermolecular potential and ab initio spectroscopy of the Ne-HF complex Tulegenov AS, Wheatley RJ, Nauryzbaev MK |
294 - 298 |
Core electron chemical shifts of hydrogen-bonded structures Tu G, Tu Y, Vahtras O, Agren H |
299 - 306 |
Ab initio vibrational spectrum of ((2)Sigma(+))He-MgH2+ Page AJ, von Nagy-Felsobuki EI |
307 - 312 |
The MC-DFT approach to the M06-2X, B2K-PLYP, and B2T-PLYP functionals Chen JL, Hong JT, Wu KJ, Hu WP |
313 - 318 |
Angular electronic'band structure' of molecules Pavlyukh Y, Berakdar J |
319 - 324 |
The charge transfer anion-radical alkali-metal salts M(+)TCNQ(-) (M = Li, Na, K): The structures and static hyperpolarizabilities Li ZJ, Li ZR, Wang FF, Ma F, Chen MM, Huang XR |
325 - 329 |
EPR investigation of local structure for [Mn(H2O)(6)](2+) cluster in [M(H2O)(6)]XCl6: Mn2+ (M = Zn, Mg, Cd, Ca; X = Pt, Sn) systems at different temperatures Tian WY, Kuang XY, Li HF, Li YF, Ying-Li |
330 - 335 |
Acquisition of ultra-wideline NMR spectra from quadrupolar nuclei by frequency stepped WURST-QCPMG O'Dell LA, Rossini AJ, Schurko RW |