1 - 5 |
Characterization and photocatalytic activity of mesoporous TiO2 prepared from an ethanol-diethyl ether binary solvent system Wang W, Dong L, Wang JP, Shi XM, Han SY |
6 - 10 |
Transparent conductive oxide electrode dependence of photo current characteristics in bacteriorhodopsin photocells Yamada T, Haruyama Y, Kasai K, Kaji T, Tominari Y, Tanaka S, OtomoNational A |
11 - 15 |
Side chain directly participates in the solar derivative PC61 BM Xing XN, Chen GH, Du YY, Li WJ, Li HY, Li HN, Li WY, Chen FY |
16 - 19 |
Icosahedral symmetry super-carborane and beyond Bhattacharya D, Klein DJ, Oliva JM, Griffin LL, Alcoba DR, Massaccesi GE |
20 - 24 |
Multiscale enhanced sampling driven by multiple coarse-grained models Moritsugu K, Terada T, Kidera A |
25 - 29 |
Computationally efficient prediction of area per lipid Chaban V |
30 - 34 |
TDDFT study on the sensing mechanism of a fluorescent sensor based on Si-O bond for fluoride anion Li GY, Wang JP, Zhang H, Li WW, Wang F, Liang YH |
35 - 39 |
Vertically aligned cobalt hydroxide nano-flake coated electro-etched carbon fiber cloth electrodes for supercapacitors Cheng Q, Tang J, Zhang H, Qin LC |
40 - 43 |
Ultrathin beta-FeOOH and epsilon-Fe2O3 nanowires Li SZ, Gan CL |
44 - 48 |
Pairwise association of neopentane as a function of hydrostatic pressure Graziano G |
49 - 54 |
Confinement of (HF)2 in C-n (n=60, 70, 80,90) cages Khatua M, Pan S, Chattaraj PK |
55 - 60 |
Conformational structures of 3-cyanoindole-(H2O)(n) (n=0-2): Franck-Condon simulations Ahn A, Min A, Moon CJ, Lee JH, Choi MY |
61 - 66 |
Novel structure and abnormal electronic properties of ultra-thin BC2N nanotubes from first-principles investigation Wang Y, Zhou BY, Yao XH, Huang G, Zhang J, Shao QY |
75 - 80 |
Band gap modulation of bilayer graphene by single and dual molecular doping: A van der Waals density-functional study Hu T, Gerber IC |
81 - 85 |
Formation and dissociation kinetics of the FC(O)OOO(O)CF, FS(O-2)OOO(O-2)SF and FC(O)OOO(O-2)SF trioxides: A theoretical study Badenes MP, Tucceri ME, Cobos CJ |
86 - 90 |
Rearrangement of the molecular orientation of Alq(3) in organic light-emitting diodes under constant current aging investigated using sum frequency generation spectroscopy Miyamae T, Takada N, Yoshioka T, Miyaguchi S, Ohata H, Tsutsui T |
91 - 97 |
Light-induced, site-selective isomerization of glyoxylic acid in solid xenon Olbert-Majkut A, Wierzejewska M, Lundell J |
98 - 103 |
The critical role of headcap and plasmonic near-field enhancement in mushroom-shaped Au nanorod Xu XB, Luo JS, Liu M, Wang YY, Yi Z, Li XB, Yi YG, Tang YJ |
104 - 108 |
Thermal chemiluminescence from gamma-irradiated polytetrafluoroethylene and its emission mechanism: Kinetic analysis and bond dissociation energy of fluoroperoxide group Yamada E, Noguchi T, Akai N, Ishii H, Satoh C, Hironiwa T, Millington KR, Nakata M |
109 - 114 |
Theoretical and kinetic study of the hydrogen atom abstraction reactions of ethyl esters with hydrogen radicals Wang QD, Wang XJ, Liu ZW, Kang GJ |
115 - 119 |
New insight into the structure of dispersed titania by combining normal-mode analysis with experiment Nitsche D, Hess C |
120 - 125 |
Elastic and structural properties and buckling behavior of single-walled carbon nanotubes under chemical adsorption of atomic oxygen and hydroxyl Ansari R, Ajori S, Ameri A |
126 - 130 |
Device fabrication and dc electrical transport properties of barium manganite nanofibers (BMO-NFs) Hayat K, Iqbal MJ, Rasool K, Iqbal Y |
131 - 136 |
Pressure dependence of structural and dynamical properties in melt sulfur: Evidence for two successive chain breakages Zhao G, Mu HF |
137 - 141 |
Unusually short excited state lifetimes of indenofluorene and fluorenofluorene derivatives result from a conical intersection Rose BD, Shoer LE, Wasielewski MR, Haley MM |
142 - 147 |
Synthesis, characterization and nonlinear optical properties of symmetrically substituted dibenzylideneacetone derivatives Reddy SK, Badam R, Sattibabu R, Molli M, Muthukumar VS, Sai SSS, Rao GN |
148 - 153 |
Processes and time-scales of energy loss of low-energy electrons (< 5 eV) in liquid water Hug GL, Mozumder A |
154 - 160 |
Quasiequivalence of multiscale coevolution and ensemble MD simulations: A demonstration with lactoferrin Yang J, Singharoy A, Sereda YV, Ortoleva PJ |
161 - 164 |
Ga-vacancy induced room temperature ferromagnetism observed in N-irradiated GaN films Xu JP, Li Q, Zhang WS, Liu JD, Du HJ, Ye BJ |
165 - 170 |
Water-mediated forces between the nucleotide binding domains generate the power stroke in an ABC transporter Furukawa-Hagiya T, Yoshida N, Chiba S, Hayashi T, Furuta T, Sohma Y, Sakurai M |
171 - 177 |
Computational study of the complexation of metals ions with poly(amidoamine) PAMAM GO dendrimers Camarada MB, Zuniga M, Alzate-Morales J, Santos LS |
178 - 183 |
Bipolar spin-filtering, rectifying and giant magnetoresistance effects in zigzag silicene nanoribbons with asymmetric edge hydrogenation Zhang D, Long MQ, Zhang XJ, Cao C, Xu H, Li MJ, Chan KS |
184 - 188 |
Rotational spectrum of phenylglycinol Simao A, Pena I, Cabezas C, Alonso JL |
189 - 195 |
Optical limiting and nonlinear optical studies of ferrocenyl substituted calixarenes Singh CP, Sharma R, Shukla V, Khundrakpam P, Misra R, Bindra KS, Chari R |
196 - 198 |
Non-monotonic pressure dependence of band gap in SnTe Li W, He QY, Chen JF, Pan ZL, Wang T |
199 - 204 |
Fast high-resolution J-resolved correlation spectroscopy in inhomogeneous fields Chen H, Zhang ZY, Cai SH, Chen Z |
205 - 211 |
The scaled-charge additive force field for amino acid based ionic liquids Fileti EE, Chaban VV |
212 - 216 |
Binding energies of small lithium clusters: A comparison of different theoretical calculations Brito BGA, Candido L, Rabelo JNT, Hai GQ |
217 - 221 |
Precursor and formation mechanism in the synthesis of carbon nanotubes by chemical vapor deposition Inoue S, Nakahara D, Matsumura Y |
222 - 225 |
Coupled-cluster and DFT studies of the Copernicium dimer including QED effects Hangele T, Dolg M |
226 - 231 |
High-resolution H-1 NMR spectra from inhomogeneous fields based on intermolecular multiple-quantum coherences between proton and quadrupolar nuclei Chen S, Chen Y, Zhong JH, Chen Z |
232 - 236 |
Removal of hydrogen sulfide from natural gas by the graphene-nanotube hybrid structure: A molecular simulation Lei GP, Liu C, Xie H, Liu JF |
237 - 242 |
Photoinduced energy and electron transfer in rubrene-benzoquinone and rubrene-porphyrin systems Khan JI, Abbas AS, Aly SM, Usman A, Melnikov VA, Alarousu E, Mohammed OF |
243 - 247 |
A numerical demonstration of far field photon intensity enhancement without stimulated emission Gomez P, Reed JM, Wang HN, Zou SL |
248 - 253 |
Spontaneous formation of unidirectional path Iwamoto M, Suematsu NJ, Ueyama D |
254 - 258 |
Singlet-triplet energy splitting between D-1 and D-3 (1s(2) 2s nd), n=3, 4, 5, and 6, Rydberg states of the beryllium atom (Be-9) calculated with all-electron explicitly correlated Gaussian functions Sharkey KL, Bubin S, Adamowicz L |
259 - 274 |
Dynamics and structure of room temperature ionic liquids Fayer MD |