1 - 6 |
Structure and absorption in C-60-zinc tetra-phenylporphyrin composite materials: A computational study Mitchell I, Page AJ |
7 - 12 |
Competition and cooperativity between tetrel bond and chalcogen bond in complexes involving F2CX (X = Se and Te) Guo X, Liu YW, Li QZ, Li WZ, Cheng JB |
13 - 18 |
Mechanism of glycine oxidation catalyzed by pyrroloquinoline quinone in aqueous solution Uchida W, Wakabayashi M, Ikemoto K, Nakano M, Ohtani H, Nakamura S |
19 - 24 |
Theoretical study of the microscopic solvation of alkali and alkaline-earth monohydroxides in (H2O)(m) (m <= 3) clusters Rossa M, Ferrero JC, Cabanillas-Vidosa I, Cobos CJ |
25 - 28 |
Enhancing mechanical toughness of aluminum surfaces by nano-boron implantation: An ab initio study Zhu Z, Kwon DG, Kwon YK, Tomanek D |
29 - 33 |
Borane and alane mediated hydrogen release from silane and methylsilane Nguyen HT, Majumdar D, Leszczynski J, Nguyen MT |
34 - 39 |
Photon cascade emission in Pr3+ doped fluorides with CaF2 structure: Application of a model for its prediction Herden B, Garcia-Fuente A, Ramanantoanina H, Justel T, Daul C, Urland W |
40 - 42 |
Electron self-exchange rates of the pi-radical cation of ZnTPP in organic solvents determined by EPR spectroscopy Bachle J, Mladenova B, Grampp G |
43 - 45 |
The effective temperature in microcanonical rate constants Hansen K |
46 - 49 |
On the nature of the stacking interaction between two graphene layers Wang WZ, Zhang Y, Sun T, Wang YB |
50 - 55 |
UV photoresponse properties of ZnO nanorods arrays deposited with CuSCN by SILAR method Li SB, Xu JP, Shi SB, Shi X, Wang XL, Wang C, Zhang XG, Liu ZM, Li L |
56 - 60 |
Quasi-classical trajectory study of the water vibrational distribution for the polyatomic OH/OD + NH3 reactions: Comparison with experiment Espinosa-Garcia J, Corchado JC, Bonnet L |
61 - 66 |
Mapping the HO3 ground state potential energy surface with DFT: Can we reproduce the MRCI plus Q/CBS data? Viegas LP, Carolina D, Varandas AJC |
67 - 72 |
Electronic properties of beta-graphyne bilayers Leoo A, Pacheco M |
73 - 77 |
Fabrication of capping-free Pt/porous RGO hybrids by a repeatable-using reduction material and their application in methanol electrooxidation Li T, Xue RJ, Xue Q, Yang ZY, Yan DW, Gu ZJ |
78 - 81 |
Cobalt phthalocyanine analogs as soluble catalysts that improve the charging performance of Li-O-2 batteries Matsuda S, Mori S, Kubo Y, Uosaki K, Hashimoto K, Nakanishi S |
82 - 87 |
Theoretical study on the reaction of C4H ((X)over-tilde(2)Sigma(+)) with CH3OH Huo RF, Zhang X, Zhang CF |
88 - 91 |
Structural evolution and electronic mechanism for KBH4 phase transition from first-principles calculations Wu DH, Wang HC, Shao L, Wei LT, Tang BY |
92 - 97 |
Geometrical and energetic properties in 38-atom trimetallic Au-Pd-Pt clusters Wu GH, Liu QM, Wu X |
98 - 102 |
Surface tension, disjoining pressure and layer compression of free-standing smectic films in water Sliwa I, Zakharov AV |
103 - 108 |
Quasi-resonant vibrational energy transfer in N-2 + N-2 collisions: Effect of the long-range interaction Garcia E, Martinez T, Lagana A |
109 - 113 |
Analytical form of forces in hydrophobic collapse Chakrabarti J, Dutta S |
114 - 122 |
Dissipative particle dynamics (DPD) study of hydrocarbon-water interfacial tension (IFT) Rezaei H, Modarress H |
123 - 128 |
Anomalous maximum and minimum for the dissociation of a geminate pair in energetically disordered media Govatski JA, da Luz MGE, Koehler M |
129 - 133 |
Atmospheric oxidation intermediates: Laser spectroscopy of resonance-stabilized radicals from p-cymene Troy TP, Tayebjee MJY, Nautac K, Kablec SH, Schmidt TW |
134 - 138 |
Thermodynamics of Na+ Cl- ion - pair association in acetonitrile-dimethyl sulfoxide mixtures Patil UN, Keshri S, Tembe BL |
139 - 143 |
Surface enhanced Raman spectroscopy of polycyclic aromatic hydrocarbons and molecular asphaltenes Andrews AB, Wang DX, Marzec KM, Mullins OC, Crozier KB |
144 - 150 |
Nanoscale heterogeneity at the aqueous electrolyte-electrode interface Limmer DT, Willard AP |