1 - 6 |
Fabrication of alpha-Fe2O3 hexagonal disc/SnO2 nanoparticle semiconductor nanoheterostructures and its properties Biju CS, Raja DH, Padiyan DP |
7 - 13 |
The ab initio study of halogen and hydrogen sigma(N)-bonded para-substituted pyridine ... (X-2/XY/HX) complexes Sladek V, Skorna P, Poliak P, Lukes V |
14 - 17 |
The potential energy surface and microwave spectra of the Xe-CO2 complex Wang ZQ, Feng EY, Zhang CZ, Sun CY |
18 - 22 |
Vacuum ultraviolet photodissociation dynamics of methanol at 121.6 nm Lucas M, Liu YL, Bryant R, Minor J, Zhang JS |
23 - 26 |
Spin conduction in nitroxide molecules Matsuura Y |
27 - 31 |
Novel synthesis and DC electrical studies of polyindole/poly(vinyl acetate) composite films Bhagat DJ, Dhokane GR |
32 - 35 |
Ionizing benzene with superhalogens Czapla M, Freza S, Skurski P |
36 - 38 |
Mechanism of degradation of electrolyte solutions for dye-sensitized solar cells under ultraviolet light irradiation Nakajima S, Katoh R |
39 - 43 |
Synthesis and improved electrochemical properties of Na-substituted Li2MnSiO4 nanoparticles as cathode materials for Li-ion batteries Wang M, Yang M, Ma LQ, Shen XD |
44 - 48 |
Following the decay dynamics of photoexcited 1,2,4-trimethylbenzene using femtosecond time-resolved photoelectron imaging Liu ZM, Hu CL, Li S, Xu YQ, Wang YM, Zhang B |
49 - 53 |
Blending damped drift of impurity with noise: Impact on off-diagonal components of frequency-dependent linear and nonlinear polarizabilities of quantum dots Ganguly J, Saha S, Ghosh M |
54 - 60 |
Molecular spinless energies of the modified Rosen-Morse potential energy model in higher spatial dimensions Jia CS, Dai JW, Zhang LH, Liu JY, Zhang GD |
61 - 65 |
Numerical evaluations of the isotopic shifts and lowest-order QED corrections for the ground 1(1)S-states of the He-3 and He-4 atoms Frolov AM |
66 - 70 |
The performance of RI-MP2 based potential energy surfaces in a vibrational self-consistent field treatment Lutz OMD, Rode BM, Bonn GK, Huck CW |
71 - 76 |
On the fly nodal searches in importance sampled fixed-node diffusion Monte Carlo using a parallel, fine-grained, genetic algorithm Wairegi A, Farrelly D |
77 - 83 |
Hydrogen-bonded aggregates in the mixtures of piperidine with water: Thermodynamic, SANS and theoretical studies Marczak W, Holaj-Krzak JT, Lodowski P, Almasy L, Fadda GC |
84 - 87 |
Suppression of superradiance from an ensemble of two-level atoms in the presence of foreign gas collisions Manassah JT |
88 - 91 |
Ultrafast chemical kinetics: Elementary chemical act Bratos S, Wulff M, Leicknam JC, Kong Q |
92 - 96 |
Curvature effect of O-2 adsorption and dissociation on SiC nanotubes and nanosheet Zhang P, Hou XL, Li S, Liu D, Dong MD |
97 - 102 |
Further theoretical insight into the reaction mechanism of the hepatitis C NS3/NS4A serine protease Martinez-Gonzalez JA, Rodriguez A, Puyuelo MP, Gonzalez M, Martinez R |
103 - 108 |
Covalent functionalization of single-walled carbon nanotubes through attachment of aromatic diisocyanate molecules from first principles Goclon J, Kozlowska M, Rodziewicz P |
109 - 114 |
The role of long-range van der Waals forces in the relative stability of SiO2-zeolites Roman-Roman EI, Zicovich-Wilson CM |
115 - 121 |
Structures and stabilities of hemi-bonded vs proton-transferred isomers of dimer radical cation systems (XH3-YH3)(+) (X,Y = N,P,As) Ji LF, Li AY, Li ZZ |
122 - 125 |
Theoretical investigations of EPR g factors for Ce3+ ion at monoclinic C-s site in YAlO3 crystal Liu HG, Zheng WC |
126 - 132 |
The routes of association of (hydro)oxo centers on iron hydroxide at the water oxidation process: DFT predictions Shubin AA, Ruzankin SP, Zilberberg IL, Taran OP, Parmon VN |
133 - 138 |
A new variation of the Buckingham exponential-6 potential with a tunable, singularity-free short-range repulsion and an adjustable long-range attraction Werhahn JC, Miliordos E, Xantheas SS |
139 - 143 |
Electromagnetic field redistribution in coupled plasmonic nanoparticle dimer-dielectric substrate system Fang YR, Tian XR, Huang YZ |
144 - 147 |
Pressure broadening of transitions in the CH3F v(4) band using Stark modulated Lamb dips Okabayashi Y, Miyamoto Y, Tang J, Kawaguchi K |
148 - 151 |
Levy-Lieb principle: The bridge between the electron density of Density Functional Theory and the wavefunction of Quantum Monte Carlo Delle Site L |
152 - 157 |
Effect of double-stranded DNA on electrical double layer structure at oxide/electrolyte interface in classical molecular dynamics simulation Maekawa Y, Shibuta Y, Sakata T |
158 - 162 |
Lithium(I) in liquid ammonia: A quantum mechanical charge field (QMCF) molecular dynamics simulation study Prasetyo N, Canaval LR, Wijaya K, Armunanto R |
163 - 168 |
Influences of interfacial terminations on electronic structure and magnetoelectric coupling in Fe/KnbO(3) superlattices Zhang H, Dai JQ, Song YM |
169 - 173 |
Synthesis and photoluminescence properties of core-shell structured YVO4:Eu3+@SiO2 nanocomposites Liu LN, Xiao HY, An XY, Zhang YS, Qin RF, Liu LS, Zhang DM, Sun RR, Chen LF |
174 - 179 |
Experimental confirmation of ground state isotopic isomerization from OC ... HI to OC ... ID Scott KW, McElmurry BA, Leonov II, Lucchese RR, Bevan JW |
180 - 184 |
Efficient light-to-current conversion by organic-inorganic interfacial charge-transfer transitions in TiO2 chemically adsorbed with 2-anthroic acid Fujisawa J, Nagata M |
185 - 188 |
Electroluminescence from colloidal semiconductor CdSe nanoplatelets in hybrid organic-inorganic light emitting diode Vitukhnovsky AG, Lebedev VS, Selyukov AS, Vashchenko AA, Vasiliev RB, Sokolikova MS |
189 - 192 |
First principles study on B/P pair and Al/N pair doping carbon nanotubes Huang G, Wang Y, Yao XH, Shao QY |
193 - 195 |
Organic-inorganic lead halide peroyskite solar cell materials: A possible stability problem Schoonman J |
196 - 200 |
Experimental determination of the rate constant of the reaction between C2H5O2 and OH radicals Farago EP, Schoemaecker C, Viskolcz B, Fittschen C |
201 - 207 |
Efficient enhancement of internal proton transfer of branched pi-extended organic chromophore under one-photon and near-infrared two-photon irradiation Gong YL, Lu Y, Ma HY, Ding G, Zhang ST, Luo ZP, Li HR, Gao F |
208 - 213 |
Ab initio study of the low-lying electronic states of [Be-Kr] Niu XH, Zhu ZL, Chen Q |
214 - 218 |
Photoacoustic calorimetry study of ligand photorelease from the Ru(II)bis(2,2'-bipyridine)(6,6'-dimethyl-2,2'-bipyridine) complex in aqueous solution Word TA, Whittington CL, Karolak A, Kemp MT, Woodcock HL, van der Vaart A, Larsen RW |
219 - 222 |
New findings on the influence of carbon surface curvature on energetics of benzene adsorption from aqueous solutions Wisniewski M, Werengowska-Ciecwierz K, Terzyk AP |
223 - 229 |
Intriguing radical-radical interactions among double-electron oxidized adenine-thymine base pairs Wang M, Zhao J, Zhang LB, Su XY, Su HL, Bu YX |
230 - 235 |
On the solid-state NMR spectra of naproxen Czernek J |
236 - 240 |
Theoretical investigation of the hydrogen shift reactions in peroxy radicals derived from the atmospheric decomposition of 3-methyl-3-buten-1-ol (MBO331) Knap HC, Jorgensen S, Kjaergaard HG |
241 - 246 |
Anion photoelectron spectroscopy and high level ab initio calculations of the halide-acetylene dimer complexes Beckham DAR, Conran S, Lapere KM, Kettner M, McKinley AJ, Wild DA |
247 - 255 |
Determination of conformation and orientation of immobilized peptides and proteins at buried interfaces Shen L, Ulrich NW, Mello CM, Chen Z |
256 - 256 |
Light-induced, site-selective isomerization of glyoxylic acid in solid xenon (vol 616, pg 91, 2014) Olbert-Majkut A, Wierzejewska M, Lundell J |