1 - 14 |
Cavity-enhanced optical methods for online microfluidic analysis Rushworth CM, Davies J, Cabral JT, Dolan PR, Smith JM, Vallance C |
15 - 19 |
Direct determination of electric current in Born-Oppenheimer molecular dynamics Sun T, Wentzcovitch RM |
20 - 26 |
Temperature dependence of the kinetic isotopic effect of the reaction of Cl atoms with C2H5Cl between 298 and 550 K Sarzynski D, Gola AA, Brudnik K, Berkowski R, Jodkowski JT |
27 - 32 |
Rate coefficients for the chemical reactions of CH2F2, CHClF2, CH2FCF3 and CH3CCl3 with O(D-1) at 298 K Nilsson EJK, Andersen VF, Nielsen OJ, Johnson MS |
33 - 36 |
Fourier-transform microwave spectroscopy of the H-2-HCN complex Ishiguro M, Harada K, Tanaka K, Tanaka T, Sumiyoshi Y, Endo Y |
37 - 42 |
Metallophilic interactions in A-frame molecules [S(MPH3)(2)] (M = Cu, Ag, Au) from range-separated density-functional perturbation theory Alam MM, Fromager E |
43 - 46 |
Partial deuterium substitution as a tool for identification of the most stable conformer of a polyatomic molecule. A case of the 2,5-bis(2-benzoxazolyl)-1,4-dimethoxybenzene in supersonic jet Sepiol J, Grabowska A, Kijak M, Borowicz P, Mengesha E, Nowacki J |
47 - 52 |
Chemical destruction of rotationally "hot" HeH+: Quantum cross sections and mechanisms of its reaction with H Bovino S, Gianturco FA, Tacconi M |
53 - 56 |
Energy transfer of ethyl iodine studied by time-resolved photoelectron imaging Xu YQ, Qiu XJ, Abulimiti B, Wang YM, Tang Y, Zhang B |
57 - 59 |
VUV spectroscopy of formamide ices Sivaraman B, Sekhar BNR, Jones NC, Hoffmann SV, Mason NJ |
60 - 66 |
Structural and thermochemical properties of a photoresponsive spiropyran and merocyanine pair: Basis set and solvent dependence in density functional predictions Balasubramanian G, Schulte J, Muller-Plathe F, Bohm MC |
67 - 71 |
Low-pressure experiments on Ar-CH4 gaseous mixtures adsorption over exfoliated graphite: Evidence of kinetic selectivity shift Raft M, Krungleviciute V, Migone AD |
72 - 76 |
Dissolution dynamic nuclear polarization efficiency enhanced by Hartmann-Hahn cross polarization Batel M, Krajewski M, Dapp A, Hunkeler A, Meier BH, Kozerke S, Ernst M |
77 - 81 |
Thermal resistance at a liquid-solid interface dependent on the ratio of thermal oscillation frequencies Kim B |
82 - 85 |
Studies on B-1/2 value of pyrene-dimethylaniline radical pair system in single and binary solvents Roy P, Jana AK, Ghanavi MB, Nath DN |
86 - 89 |
Probing radical pathways in electrophilic addition of halogens: Classical vs. bridged intermediates George L, Kalume A, Reid SA |
90 - 95 |
Thermodynamics and kinetics of Na+/K+-formate ion pairs association in polarizable water: A molecular dynamics study Nguyen PTM, Nguyen VT, Annapureddy HVR, Dang LX, Do DD |
96 - 101 |
DFT study of metal-complex structural variation on tensile force profiles Rinderspacher BC, Andzelm JW, Lambeth RH |
102 - 106 |
Spatial distribution of adsorbed water layers at the TiO2 rutile and anatase interfaces Kavathekar RS, English NJ, MacElroy JMD |
107 - 112 |
Third-order nonlinear optical response of push-pull azobenzene polymers Papagiannouli I, Iliopoulos K, Gindre D, Sahraoui B, Krupka O, Smokal V, Kolendo A, Couris S |
113 - 116 |
Two-photon solvatochromism. I. Solvent effects on two-photon absorption cross section of 4-dimethylamino-4'-nitrostilbene (DANS) Wielgus M, Bartkowiak W, Samoc M |
117 - 122 |
Structure and energetics of hydroxylated silica clusters, (SiO2)(M)(H2O)(N), M=8, 16 and N=1-4: A global optimisation study Flikkema E, Jelfs KE, Bromley ST |
123 - 127 |
Impact of tellurite-based glass structure on Raman gain Guery G, Fargues A, Cardinal T, Dussauze M, Adamietz F, Rodriguez V, Musgraves JD, Richardson K, Thomas P |
128 - 132 |
Inverse P-31 -> H-1 NMR cross-polarization in hydrated nanocrystalline calcium hydroxyapatite Kolmas J, Kolodziejski W |
133 - 136 |
N-2 and H-2 adsorption behavior of KOH-activated ordered mesoporous carbon Lee SM, Lee SC, Hong WG, Kim HJ |
137 - 142 |
Uniform diameter multi-walled carbon nanotubes with a controlled wall number obtained by a simple chemical vapor deposition method Lin YQ, Dichiara A, He DL, Haghi-Ashtiani P, Bai JB |
143 - 149 |
Water self-diffusion anisotropy and electrical conductivity of perfluorosulfonic acid/SiO2 composite proton exchange membranes Filipoi C, Demco DE, Zhu XM, Vinokur R, Conradi O, Fechete R, Moller M |
150 - 154 |
Sb2S3 nanoparticles through solution chemistry on mesoporous TiO2 for solar cell application Salunkhe DB, Gargote SS, Dubal DP, Kim WB, Sankapal BR |
155 - 158 |
Z-scan study of nonlinear absorption in novel lanthanide bis-phthalocyanines Karpo AB, Pushkarev VE, Krasovskii VI, Tomilova LG |
159 - 162 |
On photoluminescence properties of gallium-exchanged ZSM-5 zeolite Serykh AI |
163 - 167 |
Magnetic field induced self assembly and optical memory of pi-ring containing fluorophores Raja SO, Dasgupta AK |
168 - 171 |
Antenna size effect: The influence on energy transfer in the CdTe-pseudoisocyanine nanocomposite system Dimitriev OP, Mazarchuk IA, Morozovska VY, Trischuk LI |
172 - 176 |
Giant low bias negative differential resistance induced by nitrogen doping in graphene nanoribbon Zhao P, Liu DS, Li SJ, Chen G |
177 - 184 |
Investigating the molecular structures of solid dispersions by the simulated annealing method Ouyang DF |
185 - 189 |
The fragment molecular orbital method and understanding monomer polarization Churchill CDM |
190 - 194 |
A hybrid modeling strategy using Nuclear Overhauser Effect data with contact information Kim TR, Ji S, Lee S, Chu IS, Shin S, Lee J |
195 - 200 |
Substrate and intensity dependent photoenhanced transamination reactions of pyridoxal 5'-phosphate in solution Corley SC, Gottlieb SM, Larsen DS |
201 - 207 |
Terahertz time-domain and FTIR spectroscopy of tris-crown interaction Mankova AA, Borodin AV, Kargovsky AV, Brandt NN, Kuritsyn II, Luo Q, Sakodynskaya IK, Wang KJ, Zhao H, Chikishev AY, Shkurinov AP, Zhang XC |
208 - 213 |
A study of the Raman spectrum of CO2 using an algebraic approach Sanchez-Castellanos M, Lemus R, Carvajal M, Perez-Bernal F, Fernandez JM |
214 - 218 |
Link between EPR g-factors and local structure of the orthorhombic Ce3+ center in Y3Al5O12 and Lu3Al5O12 garnets Liu HG, Mei Y, Zheng WC |
219 - 224 |
Bonding, energetic, electronic delocalization and optical properties of MCp3 complexes, where M = Sc, Y, La, Ac, Lu, Ce, Yb and Th Ferraro F, Arratia-Perez R |
225 - 230 |
Analysis of gas-surface scattering models based on computational molecular dynamics Yakunchikov AN, Kovalev VL, Utyuzhnikov SV |
231 - 235 |
Probing the structural and electronic properties of Al-doped small niobium clusters Wang HQ, Li HF |
236 - 242 |
Viscosity of low volume concentrations of magnetic Fe3O4 nanoparticles dispersed in ethylene glycol and water mixture Sundar LS, Ramana EV, Singh MK, De Sousa ACM |
243 - 247 |
Local vibrational modes of the water dimer - Comparison of theory and experiment Kalescky R, Zou W, Kraka E, Cremer D |
248 - 253 |
Inertial likelihood maximization for reaction coordinates with high transmission coefficients Peters B |