1 - 10 |
Breaking bonds with electrons: Dissociative recombination of molecular ions Kokoouline V, Douguet N, Greene CH |
11 - 14 |
Probing the colloidal gold nanoparticle/aqueous interface with second harmonic generation Haber LH, Kwok SJJ, Semeraro M, Eisenthal KB |
15 - 18 |
Conformational energy gaps and scaling of conformer density in chain molecules Walters PL, Prigozhin MB, Takeshita TY, Xu L, Olivarez FM, Gruebele M |
19 - 23 |
Atmospheric chemistry of hexafluorocyclobutene, octafluorocyclopentene, and hexafluoro-1,3-butadiene Wallington TJ, Hurley MD |
24 - 28 |
An ab initio potential energy surface and dynamics of the Ar + H-2(+) -> ArH+ + H reaction Liu XG, Liu HR, Zhang QG |
29 - 36 |
AIM and ELF analysis of the H-, Me-, and F-substituted Fe-III-TAML complexes Mierzwicki K, Berski S, Latajka Z |
37 - 41 |
Theoretical study of the low lying states of Al2As: Towards a reliable description Hayashi S, Dargelos A, Pouchan C |
42 - 47 |
Interaction-induced electric properties in Kr-Ne from ab initio and DFT calculations. Is there a discrepancy between theory and experiment for the dipole moment? Chantzis A, Maroulis G |
48 - 51 |
First-principles rotation-vibration spectrum of water above dissociation Zobov NF, Shirin SV, Lodi L, Silva BC, Tennyson J, Csaszar AG, Polyansky OL |
52 - 56 |
Measurement of vapor pressures using X-ray induced fluorescence Curry JJ, Estupinan EG, Henins A, Lapatovich WP, Shastri SD |
57 - 62 |
Octahedral complexes of the series of actinides hexafluorides AnF(6) Perez-Villa A, David J, Fuentealba P, Restrepo A |
63 - 68 |
Optical rotamers of substituted simple alkanes induced by macroscopic translation-rotational motions Lee HN, Chang LC, Su TM |
69 - 73 |
Femtosecond photolysis of CH2Br2 in acetonitrile: Capturing the bromomethyl radical and bromine-atom charge transfer complex through deep-to-near UV probing Pal SK, Mereshchenko AS, El-Khoury PZ, Tarnovsky AN |
74 - 79 |
Deciphering the host-guest chemistry of Acridine Yellow and Cucurbit[7]uril: An integrated spectroscopic and calorimetric study Chakraborty B, Basu S |
80 - 83 |
On the accurate calculation of the dielectric constant from molecular dynamics simulations: The case of SPC/E and SWM4-DP water Gereben O, Pusztai L |
84 - 88 |
DFT simulations of CO2-HF mixture at extreme conditions: Thermodynamic and chemical properties Maillet JB, Bourasseau E, Jomard G |
89 - 95 |
Hydration of NaHCO3, KHCO3, (HCO3-)(2), HCO3- and CO32- from molecular dynamics simulation and speed of sound measurements Dopieralski PD, Burakowski A, Latajka Z, Olovsson I |
96 - 99 |
NMR study of a phasmid-like liquid crystal Marini A, Geppi M, Prasad V, Dong RY |
100 - 104 |
Correlation between hydrocarbon flexibility and physicochemical properties for cyclohexyl-imidazolium based ionic liquids studied by H-1 and C-13 NMR Mandai T, Imanari M, Nishikawa K |
105 - 110 |
In Situ Au L-3 and L-2 edge XANES spectral analysis during growth of thiol protected gold nanoparticles for the study on particle size dependent electronic properties Ohyama J, Teramura K, Shishido T, Hitomi Y, Kato K, Tanida H, Uruga T, Tanaka T |
111 - 116 |
Investigating the adsorption of H2O on ZnO nanoclusters by first principle calculations Al-Sunaidi A, Goumri-Said S |
117 - 121 |
Confinement-induced changes in magnetic behavior of a Ti monolayer on Pt Ramirez-Caballero GE, Balbuena PB |
122 - 127 |
Inquisition of reaction parameters on the growth and optical properties of ZnO nanoparticles synthesized via low temperature reaction route Makkar M, Bhatti HS |
128 - 133 |
Surface effects in chiral adsorption Popa T, Paci I |
134 - 137 |
Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations Rungrotmongkol T, Arsawang U, Iamsamai C, Vongachariya A, Dubas ST, Ruktanonchai U, Soottitantawat A, Hannongbua S |
138 - 143 |
Selective deposition of organic molecules onto different densely packed self-assembled monolayers: A molecular dynamics study Xu Z, Hirtz M, Yuan SL, Liu CB, Chi LF |
144 - 150 |
Biotemplated synthesis of superconducting plate-like YBa2Cu3O7-delta using oligosaccharides Hall SR, Wimbush SC, Shida Y, Ogasawara W |
151 - 156 |
Vibronic interactions in hole-transporting molecules: An interplay with electron-hole interactions Sato T, Shizu K, Uegaito K, Iwahara N, Tanaka K, Kaji H |
157 - 161 |
Molecular dynamics studies on the mutational structures of a nylon-6 byproduct-degrading enzyme Baba T, Kamiya K, Matsui T, Shibata N, Higuchi Y, Kobayashi T, Negoro S, Shigeta Y |
162 - 167 |
Anionic micelle-induced fluorescent sensor activity enhancement of acridine orange: Mechanism and pH effect Ghosh AK, Samanta A, Bandyopadhyay P |
168 - 173 |
A computational study of glutathione and its fragments: N-acetylcisteinylglycine and gamma-glutamylmethylamide Ding VZY, Dawson SSH, Lau LWY, Lee DR, Galant NJ, Setiadi DH, Jojart B, Szori M, Mucsi Z, Viskolcz B, Jensen SJK, Csizmadia IG |
174 - 177 |
Modeling the diiron(II) ferroxidase complex in human H ferritin Bacelo DE, Binning RC |
178 - 180 |
Manifestation of the exchange-relaxation mechanism of spin catalysis Gorbunov OA, Purtov PA |
181 - 184 |
On the consistent use of electrophilicity index and HSAB-based electron transfer and its associated change of energy parameters Kokalj A, Kovacevic N |
185 - 189 |
Relationships between interaction energy, intermolecular distance and electron density properties in hydrogen bonded complexes under external electric fields Mata I, Alkorta I, Espinosa E, Molins E |
190 - 194 |
Quantitative luminescence microscopy on Nitrogen-Vacancy Centres in diamond: Saturation effects under pulsed excitation Chapman R, Plakhotnik T |
195 - 198 |
Study of trap-filling effect on transient carrier transport in pentacene field effect transistors by time-resolved optical second harmonic generation Tanaka Y, Manaka T, Iwamoto M |
199 - 202 |
Structural optimization of silver clusters from Ag-141 to Ag-310 using a Modified Dynamic Lattice Searching method with Constructed core Huang WQ, Lai XJ, Xu RC |
203 - 207 |
Comparison of optical and electrical transient response during nanosecond laser pulse-induced phase transition of Ge2Sb2Te5 thin films Liang GF, Zhang K, Zhai FX, Huang H, Wang Y, Wu YQ |
208 - 208 |
Synthesis of ZnTe nanostructures by vapor-liquid-solid technique (vol 504, pg 62, 2011) Davami K, Kang D, Lee JS, Meyyappan M |