1 - 8 |
Phosphorus-doped graphene support to enhance electrocatalysis of methanol oxidation reaction on platinum nanoparticles An MC, Du CY, Du L, Sun YR, Wang YJ, Chen C, Han GK, Yin GP, Gao YZ |
9 - 13 |
Similarity law and critical properties in ionic systems Desgranges C, Delhommelle J |
14 - 18 |
Experimental study on an evaporation process to deposit MoO2 microflakes Guo YH, Zhao QY, Zhan YJ, Xu XL, Xie Y |
19 - 22 |
First principles study on mixed orthorhombic perovskite CH3NH3Pb(I1-xBrx)(3) Fang Z, Yi ZJ |
23 - 30 |
Assessment of CCSD(T), MP2, and DFT methods for the calculations of structures and interaction energies of the peptide backbone with water molecules Kang NS, Kang YK |
31 - 37 |
An accurate prediction of the infrared spectra for Rg-CS2 (Rg = He, Ne, Ar) complexes in the v(1) + v(3) region of CS2 monomer Lv J, Wang HL, Zheng LM, Yang DP, Zheng R |
38 - 43 |
An X-ray and computational study of liquid pentylammonium nitrate Gontrani L, Leonelli F, Campetella M |
44 - 53 |
Effects of a common worldwide drink (Beer) on L-Phenylalanine and L-Tyrosine fibrillar assemblies Banik D, Banerjee P, Sabeehuddin G, Sarkar N |
54 - 59 |
Tuning electronic and magnetic properties in monolayer MoSe2 by metal adsorption Huang SL, Zhang Q, Liu S, Li HP, Li CS, Meng J, Tian Y |
60 - 65 |
Theoretical study on steric deconjugation of poly(3-hexylthiophene) through bromination Ando H, Tanaka S, Matsumoto K, Nakao Y |
66 - 72 |
The computational analysis and modelling of substitution effects on hydrolysis of formanilides in acidic aqueous solutions Lukes V, Skorna P, Michalik M, Klein E |
73 - 84 |
Theoretical and experimental approach on the molecular interactions of the DL-Alanine with an electrolytic environment Cantero-Lopez P, Yanez-Osses O, Paez-Meza MS, Lopez JE, Paez-Hernandez D, Arratia-Perez R |
85 - 90 |
Insight into the novel inhibition mechanism of apigenin to Pneumolysin by molecular modeling Niu XD, Yang YN, Song M, Wang GZ, Sun L, Gao YW, Wang HS |
91 - 95 |
Dewetting kinetics of metallic liquid films: Competition between unbalanced Young's force and dissolutive reaction Lu G, Lin L, Hui S, Wang SL, Wang XD, Lee DJ |
96 - 100 |
Diffusion dynamics of nanoparticle and its coupling with polymers in polymer nanocomposites Chen T, Qian HJ, Lu ZY |
101 - 105 |
Investigations of press-induced band gap changes in PbS Li W, He QY, Wang YZ, Wang T |
106 - 109 |
Improved performance of CH3NH3PbBr3 perovskite solar cells utilizing PbI2 precursors Yang Y, Zhang TY, Tian HX, Zhao ZG, Qin XJ, Wu JB |
110 - 115 |
Computational estimation of parity violation effects in a metal-organic framework containing DABCO Mirzaeva IV, Kozlova SG |
116 - 124 |
Symmetry-broken effects on electron momentum spectroscopy caused by adiabatic vibration Zhu YH, Ma XG, Lou WH, Wang MS, Yang CL |
125 - 130 |
Observation of excited state absorption in the V-Cr Prussian blue analogue Hedley L, Horbury MD, Liedy F, Johansson JO |
131 - 137 |
Is there a generalized anomeric effect? Analyses from energy components and information-theoretic quantities from density functional reactivity theory Cao XF, Liu SQ, Rong CY, Lu T, Liu SB |
138 - 142 |
A theoretical insight into CO2 sensing performance on the orthorhombic LaMnO3 (010) surface Wang XF, Ma W, Song XZ, Hu JF |
143 - 151 |
Synthesis of hierarchical porous flower-like ZnO-AlOOH structures and their applications in adsorption of Congo Red Lei CS, Pi M, Zhou W, Guo YQ, Zhang FG, Qin JQ |
152 - 157 |
Preparation of plasmonic monolayer with Ag and Au nanoparticles for dye-sensitized solar cells Song DH, Kim HY, Kim HS, Suh JS, Jun BH, Rho WY |
158 - 162 |
DFT study on the ionic cyclization mechanism of copolymers of acrylonitrile-itaconic acid: Direct or autocatalytic? Luo QH, Shi ZJ, Li DX, Zhu CZ, Wang ML |
163 - 170 |
Optimization of convergence criteria for fragmentation methods Sun ZX, Zhu T, Wang XH, Mei Y, Zhang JZH |
171 - 177 |
The low-lying states of AlC and GaC: Molecular constants, transition probabilities and radiative lifetime Fernandes GFS, Pontes MAP, de Oliveira MH, Ferrao LFA, Machado FBC |
178 - 183 |
A theoretical study of the formation of glycine via hydantoin intermediate in outer space environment Kayanuma M, Kidachi K, Shoji M, Komatsu Y, Sato A, Shigeta Y, Aikawa Y, Umemura M |
184 - 187 |
Reactive molecular simulation on the calcium silicate hydrates/polyethylene glycol composites Zhou Y, Hou DS, Jiang JY, She W, Yu J |
188 - 193 |
The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes Dabaghmanesh S, Neek-Amal M, Partoens B, Neyts EC |
194 - 199 |
Obtaining time-dependent multi-dimensional dividing surfaces using Lagrangian descriptors Feldmaier M, Junginger A, Main J, Wunner G, Hernandez R |
200 - 204 |
Dynamic evolutions of electron properties: A theoretical study for condensed-phase beta-HMX under shock loading He ZH, Chen J, Wu Q, Ji GF |
205 - 208 |
A cost- and time-saving strategy of spraying TiO2 self-cleaning coatings in tubular substrates by air cold plasma Zhang LJ, Yu S, Wang KL, Zhang J, Fang J |
209 - 221 |
Assorted interactions of amino acids prevailing in aqueous vitamin C solutions probed by physicochemical and ab-initio contrivances Das K, Roy MC, Rajbanshi B, Roy MN |
222 - 226 |
Cyclodextrin-carbon nanotube composites for fluorescent detection of cholesterol Gilbert S, Jeong HK, Dowben PA |
227 - 232 |
Partition functions of thermally dissociating diatomic molecules and related momentum problem Buchowiecki M |
233 - 237 |
Magnetic, electrochemical and thermoelectric properties of P2=Na-x(Co7/8Sb1/8)O-2 Assadi MHN, Li S, Zheng RK, Ringer SP, Yu AB |
238 - 243 |
Morphology controllable time-dependent CoS nanoparticle thin films as efficient counter electrode for quantum dot-sensitized solar cells Reddy AE, Rao SS, Gopi CVVM, Anitha T, Thulasi-Varma CV, Punnoose D, Kim HJ |
244 - 249 |
Cu- and Fe-hexacyanoferrate as cathode materials for Potassium ion battery: A First-principles study Targholi E, Mousavi-Khoshdel SM, Rahmanifara M, Yahya MZA |
250 - 257 |
Theoretical study of isostructural compounds MTe2 (M = Ni, Pd and Pt) on structure and thermodynamic properties under high pressures Lei JQ, Liu K, Huang S, Mao XC, Hou BS, Tan J, Zhou XL |
258 - 263 |
Solvent control of the morphology of the hole transport layer for high-performance perovskite solar cells Xie XY, Liu GC, Chen L, Li SC, Liu Z |
264 - 269 |
Effect of the additives on clouding behavior and thermodynamics of coenzyme Q10-Kolliphor HS15 micelle aqueous solutions Hu L, Zhang J, Zhu C, Pan HC, Liu H |
270 - 275 |
Thermal characterization assessment of rigid and flexible water models in a nanogap using molecular dynamics Akiner T, Mason J, Erturk H |
276 - 283 |
Mechanistic and kinetic study on the reaction of methylperoxyl radical with atomic hydrogen Zhang YJ, Song RJ, Sun YX, Sun JY, Tang YZ, Liu YG, Wang RS |
284 - 289 |
A measurement of the photoionization cross section of CH2Cl via photofragment translational spectroscopy of dichloromethane Scrape PG, Xu RJ, Adams JD, Lee SH, Butler LJ |
290 - 296 |
A DFT study on catalytic epoxidation of ethylene over Ti-doped graphene nanoflake in the presence of NO molecules Esrafili MD, Saeidi N, Dinparast L |
297 - 302 |
Reaction kinetics of (CF3)(2)CFCN with OH radicals as a function of temperature (278-358 K): A good replacement for greenhouse SF6? Blazquez S, Antinolo M, Nielsen OJ, Albaladejo J, Jimenez E |
303 - 306 |
Graphene-laminated architectures obtained by chemical vapor deposition: From graphene to graphite Kitayama H, Shimizu K, Ohba T |
307 - 311 |
Boron nitride nanotubes grown on stainless steel from a mixture of diboron trioxide and boron Songfeng E, Long XY, Li CW, Geng RJ, Han DB, Lu WB, Yao YG |
312 - 316 |
Click polymerization and characterization of TiO2 nanoparticles to one-dimensional nanochains Xia R, Ruan Z, Zhang YJ, Zhu H, Cao M, Chen P, Miao JB, Qian JS |
317 - 321 |
Fabrication of nickel phthalocyanine free-standing film on ionic liquid surface and photoelectrical response Xiao Y, Zhang MR, Li JJ, Pan GB |
322 - 329 |
Various complexity measures in confined hydrogen atom Majumdar S, Mukherjee N, Roy AK |
330 - 335 |
The reactivity of C(D-1) with oxygen bearing molecules NO and O-2 at low temperature Nunez-Reyes D, Hickson KM |