1 - 4 |
Observation of a catalytic proton/hydrogen atom relay in microsolvated 7-azaindole-methanol cluster enhanced by a cooperative motion of the hydrogen-bonded network Sakota K, Komoto Y, Nakagaki M, Ishikawa W, Sekiya H |
5 - 9 |
Magnetic coupling interaction for mixed transition metal dimer: Ab initio MRCI(SD)+Q investigation on CrCu Wang MW, Wang BW, Chen ZD |
10 - 13 |
Conformational equilibrium in 3-hydroxy-pyridine Sanchez R, Giuliano BM, Melandri S, Caminati W |
14 - 18 |
Strong hydrogen bonding between atmospheric nucleation precursors and common organics Nadykto AB, Yu FQ |
19 - 23 |
Dissociation of the NO-CH4 van der Waals complex: Binding energy and correlated motion of the molecular fragments Wright DS, Holmes-Ross HL, Lawrance WD |
24 - 28 |
Carbocation-pi interaction with Car-Parrinello molecular dynamics: Ab initio molecular dynamics investigation of complex of methyl cation with benzene Zheng F, Sa RJ, Cheng JG, Jiang HL, Shen JH |
29 - 33 |
The EOM-CC studies of low-lying electronic states of NO-2, CCl2 and OF2+ Czernek J, Zivny O |
34 - 38 |
Ab initio molecular dynamics evidence of a new stable symmetric C-s structure for N(OH)(3) Jolibois F, Maron L, Ramirez-Solis A |
39 - 44 |
Isomerization and dissociation of ethylbenzene and xylene molecular ions: A DFT study Choe JC |
45 - 49 |
NIR luminescence of gadolinium porphyrin complexes Khalil GE, Thompson EK, Gouterman M, Callis JB, Dalton LR, Turro NJ, Jockusch S |
50 - 53 |
Evidence of enhanced local order and clustering in supercooled water near liquid-vapor interface: Molecular dynamic simulations Zasetsky AY, Remorov R, Svishchev IM |
54 - 58 |
A multicomponent rhenium-based triplet emitter for organic electroluminescence Liu CB, Li J, Li B, Hong ZR, Zhao FF, Liu SY, Li WL |
59 - 64 |
First-principles calculations of structural, electronic, and optical absorption properties of CaCO3 Vaterite Medeiros SK, Albuquerque EL, Maia FF, Caetano EWS, Freire VN |
65 - 68 |
Nonlinear optical absorption of a metal dithiolene complex irradiated by different laser pulses at near-infrared wavelengths Guo WF, Sun XB, Sun J, Wang XQ, Zhang GH, Ren Q, Xu D |
69 - 73 |
On the question of the ratio between diffusion coefficients of radical ions and their parent molecules in solution Borovkov VI |
74 - 78 |
The monocyclic water hexamer detected in neon matrices by infrared spectroscopy Hirabayashi S, Yamada KMT |
79 - 83 |
The role of molecular polarity in cluster local structure studied by photoelectron spectroscopy Rosso A, Rander T, Bergersen H, Lindblad A, Lundwall M, Svensson S, Tchaplyguine M, Ohrwall G, Saethre LJ, Bjorneholm O |
84 - 89 |
Chemical modification of multi-walled carbon nanotubes using a tetrazine derivative Hayden H, Gun'ko YK, Perova TS |
90 - 95 |
Interpreting STM image and tunneling-current-induced rotation of cis-2-butene on a Pd(110) surface Lee SU, Han YK, Mizuseki H, Kawazoe Y |
96 - 99 |
Photocatalytic properties of a new photocatalyst K2Sr1.5Ta3O10 Yao WF, Ye JH |
100 - 103 |
Electronic structure of the Au/benzene-1,4-dithiol/Au transport interface: Effects of chemical bonding Schwingenschlogl U, Schuster C |
104 - 108 |
Glucose sensing based on NIR fluorescence of DNA-wrapped single-walled carbon nanotubes Karachevtsev VA, Glamazda AY, Leontiev VS, Lytvyn OS, Dettlaff-Weglikowska U |
109 - 113 |
Nonlinear optical response of Mo6S4.5I4.5 nanowires Doyle JJ, Nicolosi V, O'Flaherty SM, Vengust D, Drury A, Mihailovic D, Coleman JN, Blau WJ |
114 - 118 |
First observation of surface plasmon-coupled chemiluminescence (SPCC) Chowdhury MH, Malyn SN, Aslan K, Lakowicz JR, Geddes CD |
119 - 122 |
Electrical and photoelectrical performances of nano-photodiode based on ZnO nanowires He JH, Ho ST, Wu TB, Chen LJ, Wang ZL |
123 - 126 |
Substrate effects on surface plasmons in single nanoholes Shuford KL, Gray SK, Ratner MA, Schatz GC |
127 - 131 |
Graphical representations for protein secondary structure sequences and their application Liu N, Wang TM |
132 - 135 |
Identifying adenine-thymine base pairing by anharmonic analysis of the hydrogen-bonded NH stretching vibrations Krishnan GM, Kuhn O |
136 - 141 |
A CASPT2 study of the excited states of adenine tautomers with silver ions Schreiber M, Gonzalez L |
142 - 147 |
Achieving pH and Qr oscillations in a palladium-catalysed phenylacetylene oxidative carbonylation reaction using an automated reactor system Novakovic K, Grosjean C, Scott SK, Whiting A, Willis MJ, Wright AR |
148 - 151 |
A harmless and high-efficiency decomposition treatment for halogenized compounds using an electron source with a carbon nanotube Yamaura M, Uchida S, Yamanaka C |
152 - 156 |
Extension of the composite CBS-QB3 method to singlet diradical calculations Sirjean B, Fournet R, Glaude PA, Ruiz-Lopez MF |
157 - 162 |
Fast adiabatic pulses for solid-state NMR of paramagnetic systems Kervern G, Pintacuda G, Emsey L |
163 - 169 |
Proton-detected N-14 MAS NMR using homonuclear decoupled rotary resonance Gan ZH, Amoureux JP, Trebosc J |