237 - 243 |
Accurate vibrational frequencies using the self-consistent-charge density-functional tight-binding method Malolepsza E, Witek HA, Morokuma K |
244 - 249 |
Analytical expressions of exchange and three-center nuclear attraction integrals over 1s and 2s Slater orbitals with different exponents Ruiz MB, Peuker K |
250 - 254 |
Wetting of doped carbon nanotubes by water droplets Kotsalis EM, Demosthenous E, Walther JH, Kassinos SC, Koumoutsakos P |
255 - 262 |
Binding and relaxation behavior of Coumarin-153 in lecithin-taurocholate mixed micelles: A time resolved fluorescence spectroscopic study Chakrabarty D, Chakraborty A, Seth D, Hazra P, Sarkar N |
263 - 268 |
High-aperture-excitation and -detection fluorescence spectroscopy with polarized light Fisz JJ, Buczkowski M, Zuchowski P |
269 - 273 |
Growth, nitrogen doping and characterization of isolated single-wall carbon nanotubes using liquid precursors Keskar G, Rao R, Luo J, Hudson J, Chen J, Rao AM |
274 - 279 |
Hyper-Rayleigh scattering of neutral and charged helicenes Botek E, Spassova M, Champagne B, Asselberghs I, Persoons A, Clays K |
280 - 284 |
Replica-exchange molecular dynamics simulation of small peptide in water and in ethanol Yoshida K, Yamaguchi T, Okamoto Y |
285 - 293 |
MP2 and DFT studies of the DNA rare base pairs: The molecular mechanism of the spontaneous substitution mutations conditioned by tautomerism of bases Danilov VI, Anisimov VM, Kurita C, Hovorun D |
294 - 298 |
Fabrication of organic copper phthalocyanine nanowire arrays via a simple AAO template-based electrophoretic deposition Xu HB, Chen HZ, Xu WJ, Wang M |
299 - 302 |
Structure and stability of perazido substituted azacycloalkanes, N-n(N3)(n) Wu HS, Xu XH, Jiao HJ |
303 - 306 |
Length and temperature dependence of electrical conduction through dithiolated porphyrin arrays Kang BK, Aratani N, Lim JK, Kim D, Osuka A, Yoo KH |
307 - 312 |
Dynamic folding pathway models of alpha-helix and beta-hairpin structures Lee IH, Kim SY, Lee J |
313 - 316 |
Luminescence of (Li0.333Na0.334K0.333)Eu(MoO4)(2) and its application in near UVInGaN-based light-emitting diode Wang ZL, Liang HB, Zhou LY, Wu H, Gong ML, Su Q |
317 - 321 |
A direct ab initio dynamics study of the initial decomposition steps of gas phase 1,3,3-trinitroazetidine Zhao QH, Zhang SW, Li QS |
322 - 326 |
Investigation of moisture diffusion in epoxy system: Experiments and molecular dynamics simulations Lin YC, Chen X |
327 - 330 |
Electron momentum distribution mapping of trans-stilbene single crystal by positron annihilation Sivaji K, Arulchakkaravarthi A, Selvakumar S, Ramasamy P, Sankar S, Varghese B |
331 - 335 |
Improvement in performance of organic light-emitting diodes by adjusting charge-carrier mobility in organic/inorganic hybrid hole transporting layer Li FS, Chen ZJ, Liu CL, Gong QH |
336 - 340 |
Bipartivity of fullerene graphs and fullerene stability Doslic T |
341 - 346 |
Radiative decay engineering by triaxial nanoellipsoids Guzatov DV, Klimov VV |
347 - 352 |
H atom-induced oxidation reaction on water-terminated Si surface, 2H+H2O/Si(100)-(2x1): A theoretical study Watanabe H, Wang ZH, Nanbu S, Maki J, Urisu T, Aoyagi M, Ooi K |
353 - 358 |
Applications of genetic algorithms for inverting positron lifetime spectrum Lemes NHT, Braga JP, Belchior JC |
359 - 364 |
Structure and vibrational spectra of dimethylsilanediol and methylsilanetriol dimers Ignatyev IS, Montejo M, Urena FP, Gonzalez JJL |
365 - 368 |
Ab initio studies of the dipole moment and polarizability of azulene in its ground and excited singlet states Hinchliffe A, Soscun HJ |
369 - 375 |
Enhancement of hydrogen storage capacity of carbon nanotubes via spill-over from vanadium and palladium nanoparticles Zacharia R, Kim KY, Kibria AKMF, Nahm KS |
376 - 380 |
A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules Duchowicz PR, Castro EA, Fernandez FM, Gonzalez MP |
381 - 385 |
Extracular densities of the non-Born-Oppenheimer Hookean H-2 molecule Lopez X, Ugalde JM, Ludena EV |
386 - 390 |
Molecular rotation-vibration coupling by quantum wavepacket interference at potential energy curve crossings Gador N, Zhang B, Hansson T |
391 - 394 |
Blueshift of the photoluminescence excitation band of the SM3+ impurity in Pt-CeO2 powder induced by the electron transfer between CeO2 and Pt particles Nakajima H, Mori T |
395 - 398 |
Raman spectral changes of PEDOT-PSS in polymer light-emitting diodes upon operation Sakamoto S, Okumura M, Zhao ZG, Furukawa Y |
399 - 405 |
Extinction and orientational dependence of electron diffraction from single-walled carbon nanotubes Liu ZJ, Qin LC |
406 - 410 |
Quantum chemical study of coherent electron transport in oligophenylene molecular junctions of different lengths Su WY, Jiang J, Luo Y |
411 - 415 |
The magneto-optical properties of diastereoisomers Ruchon T, Thepot JY, Vallet M, Le Floch A |
416 - 419 |
The binding of the noble metal cations Au+ and Ag+ to propene Olson R, Varganov S, Gordon MS, Metiu H |
420 - 424 |
Investigation of microwave effects on the oscillatory Bray-Liebhafsky reaction Stanisavljev DR, Djordjevic AR, Likar-Smiljanic VD |
425 - 429 |
Intermolecular charge and energy transfer in neurosporene and chlorophyll a derivative complex Sun MT, Li YZ, Ma FC |
430 - 433 |
Improved multi-level electronic structure methods (MLSEn plus d) for atomization energies and reaction energy barriers Li TH, Chen HR, Hu WP |
434 - 438 |
Methylsilane on Cu(111): A MDS study of the formation of the surface silicide Menard H, Pratt A, Jacka M |
439 - 443 |
The interaction of N-2 with active sites of a single-wall carbon nanotube Xu YJ, Li JQ |
444 - 448 |
Anode catalysts for enhanced methanol oxidation: An in situ XANES study of PtRu/C and PtMo/C catalysts Mylswamy S, Wang CY, Liu RS, Lee JF, Tang MJ, Lee JJ, Weng BJ |
449 - 453 |
Raman scattering analysis of changes induced by chemical treatment of double-walled carbon nanotubes Ellis AV, Bubendorfer A |
454 - 458 |
Indium-related novel architecture of GaN nanorod grown by molecular beam epitaxy Kim YH, Lee JY, Lee SH, Oh JE, Lee HS, Huh Y |
459 - 463 |
Site-specific fragmentation caused by Si: Is core-level photoionization of F3SiCH2CH2Si(CH3)(3) vapor Nagaoka S, Tamenori Y, Hino M, Kakiuchi T, Ohshita J, Okada K, Ibuki T, Suzuki IH |
464 - 469 |
Solvent-dependent intra- and intermolecular vibrational energy transfer of W(CO)(6) probed with sub-picosecond time-resolved infrared spectroscopy Banno M, Sato S, Iwata K, Hamaguchi H |
470 - 476 |
Multifrequency EPR study and DFT calculations of a C-60 bisadduct anion Zoleo A, Bellinazzi M, Prato M, Brustolon M, Maniero AL |
477 - 481 |
Theoretical study of the interaction d(10)-s(2) between Pt(0) and Tl(I) on the [Pt(PH3)(3)Tl](+) complex Mendizabal F, Zapata-Torres G, Olea-Azar C |
482 - 487 |
The CO-H interaction on Pt(111) studied using temperature programmed vibrational sum frequency generation Roeterdink WG, Bonn M, Olsen RA |
488 - 493 |
Accurate interaction energies for argon, krypton, and benzene dimers from perturbation theory based on the Kohn-Sham model Podeszwa R, Szalewicz K |