1 - 13 |
Magnetically responsive ordered mesoporous materials: A burgeoning family of functional composite nanomaterials Deng YH, Cai Y, Sun ZK, Zhao DY |
14 - 17 |
Thermal behavior of Si-doped fullerenes vs their structural stability at T=0 K: A density functional study Scipioni R, Matsubara M, Ruiz E, Massobrio C, Boero M |
18 - 20 |
The mechanics of charge-shift bonds: A perspective from the electronic stress tensor Jenkins S, Kirk SR, Guevara-Garcia A, Ayers PW, Echegaray E, Toro-Labbe A |
21 - 26 |
Born-Oppenheimer DFT molecular dynamics studies of S2O2: Non-harmonic effects on the lowest energy isomers Ramirez-Solis A, Jolibois F, Maron L |
27 - 30 |
Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands van Severen MC, Piquemal JP, Parisel O |
31 - 35 |
Electronic structure and spectra of a new molecular species: SI. A theoretical contribution de Oliveira AGS, Ornellas FR |
36 - 41 |
Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F-(H2O) complex Toffoli D, Sparta M, Christiansen O |
42 - 47 |
Double methyl substitution in simple alkenes leads to low-barrier reactions towards molecular fluorine Li ZQ, Tsai CH, Chen AF, Lu YJ, Lin JJ |
48 - 52 |
Ab initio potential energy surface and bound states of the Ar-BH complex Wang ZQ, Zheng QH, Feng EY |
53 - 56 |
Effect of aromatization of the ring on intramolecular H-bond in 3-hydroxy-4-formylo derivatives of fulvene Oziminski WP, Krygowski TM |
57 - 59 |
Electronic structure of herbicides: Atrazine and bromoxynil Novak I, Kovac B |
60 - 66 |
Cu-doped ceria: Oxygen vacancy formation made easy Lu ZS, Yang ZX, He BL, Castleton C, Hermansson K |
67 - 72 |
Hydrogen bond fluctuations and dispersive interactions of alcohol/alkane mixtures. An ultrasonic relaxation study Kaatze U, Behrends R |
73 - 77 |
Photoinduced proton transfer of 6-hydroxynaphthalene-1-sulfonic acid in n-propanol/water mixtures Htun MT |
78 - 81 |
Dynamics of ultrafast dissociation of hydrogenic molecules by resonant antibonding core electron excitation: Conclusions from detuning dependence of H+-kinetic energy distributions from condensed films Weimar R, Romberg R, Naydenov B, Menzel D, Feulner P |
82 - 86 |
Vibronic structure in resonant Auger Raman spectroscopy of large pi-conjugated molecules Haming M, Weinhardt L, Scholl A, Reinert F |
87 - 92 |
Aligned selenium microtubes array: Synthesis, growth mechanism and photoelectrical properties Filippo E, Manno D, Serra A |
93 - 98 |
Solid-state dye-sensitized solar cells fabricated with nanoporous TiO2 and TPD dyes: Analysis of penetration behavior and I-V characteristics Erten-Ela S, Brendel J, Thelakkat M |
99 - 103 |
Theoretical study of ZnO(1 0 (1)over-bar 0) and M/ZnO(1 0 (1)over-bar 0) (M = Cu, Ag and Au) surfaces with DFT approach Hu HQ, Lv ZT, Cui SX, Zhang GQ |
104 - 108 |
Atomic Cu adsorption on defect-free SrTiO3(0 0 1) surface Wei W, Dai Y, Lai KR, Guo M, Huang BB |
109 - 114 |
Thermal stability of carbon nanotubes, fullerene and graphite under spark plasma sintering Zhang FM, Mihoc C, Ahmed F, Lathe C, Burkel E |
115 - 119 |
Computational and experimental studies into NMR characterization of [2+2] cycloaddition products of norbornene Mierzwicki K, Rzepecka E, Czelusniak I, Szymanska-Buzar T |
120 - 125 |
Critical view on luminescence properties of Y2O3:Eu3+ after dispersion in SiO2 Singh LR, Ningthoujam RS |
126 - 130 |
Observation of Significant enhancement in the efficiency of a DSSC by InN nanoparticles over TiO2-nanoparticle films Wang TT, Raghunath P, Lu YF, Liu YC, Chiou CH, Lin MC |
131 - 134 |
Temperature influence on dynamics of diffraction grating formation in systems based on photochromic liquid crystalline molecules Czajkowski M, Mysliwiec J, Zygadlo K, Galewski Z, Bartkiewicz S |
135 - 138 |
Microwave-assisted synthesis of surface-passivated doped ZnSe quantum dots with enhanced fluorescence Jiang LW, Zhou J, Yang XZ, Peng XN, Jiang H, Zhuo DQ, Chen LD, Yu XF |
139 - 142 |
Influence of energy and wavelength on femtosecond laser-induced nucleation of protein Murai R, Yoshikawa HY, Hasenaka H, Takahashi Y, Maruyama M, Sugiyama S, Adachi H, Takano K, Matsumura H, Murakami S, Inoue T, Mori Y |
143 - 146 |
Specific bindings of glycine peptides of distinctly different chain length on dynamic papain surfaces Nishiyama K |
147 - 153 |
Spin flipping in ring-coupled-cluster-doubles theory Klopper W, Teale AM, Coriani S, Pedersen TB, Helgaker T |
154 - 160 |
A transferable electrostatic model for intermolecular interactions between polycyclic aromatic hydrocarbons Totton TS, Misquitta AJ, Kraft M |
161 - 164 |
Assessment of DFT functionals for the calculation of interaction-induced electric properties of molecular complexes (vol 503, pg 39, 2011) Zawada A, Kaczmarek-Kedziera A, Bartkowiak W |