Showing papers in "Chemical Physics Letters in 2000"

TL;DR: In this article, a fine metal tip brought to within a few nanometers of a molecular film was found to give strong enhancement of Raman scattered light from the sample, which can be used for molecular analysis with excellent spatial resolution.

TL;DR: In this article, a combination of solvent casting and melt mixing was used to disperse carbon nanotubes in poly(methyl methacrylate) (PMMA) composite films showed higher conductivity along the flow direction than perpendicular to it.

TL;DR: In this article, the electron and hole interband recombination was applied to gold nanorods with an aspect ratio of 2.0-5.4 and they were found to fluoresce with a quantum yield over a million times that of the metal.

TL;DR: In this article, the authors used inverse photoelectron spectroscopy (IPES) and ultraviolet photo-electron (UPS) to investigate unoccupied and occupied electronic states of five organic semiconductor materials: CuPc (copper phthalocyanine), PTCDA (3,4,9,10-perylenetetetracarboxylic dianhydride), α-6T (α-sexithiophene), αNPD (N,N, naphthyl)-l,l′ biphenyl

TL;DR: In this paper, a family of CoMo catalysts has been found to be able to produce SWNT with high selectivity, depending on the Co:Mo ratio, the temperature of operation, and the processing time.

TL;DR: The first use of pulsed terahertz spectroscopy to examine low-frequency collective vibrational modes of biomolecules was reported in this paper, which indicated that a large number of the lowfrequency collective modes for these systems are IR active.

TL;DR: In this paper, transmission electron microscopy studies reveal that Ti, Ni and Pd coatings on the suspended tubes are continuous and quasi-continuous, resulting in nanotube-supported metal nanowire structures.

TL;DR: In this article, a simplified model of binuclear manganese oxide, Mn2O2, using spin-unrestricted Hartree-Fock (UHF), spin-polarized density functional (DFT) and UHF+DFT hybrid methods is presented.

TL;DR: The first all-electron ab initio study of Young's modulus and Poisson ratio for a number of closed single-walled nanotubes is presented in this paper.

TL;DR: In this paper, a large-scale production of single-wall carbon nanotubes (SWNTs) is reported, where large quantities of SWNTs can be synthesized by catalytic decomposition of methane over well-dispersed metal particles supported on MgO at 1000°C.

TL;DR: In this paper, carboxylic acid and quinone groups on the nanotube surface prior to heating above 623 K were removed by removing a large number of these groups to open the entry ports for adsorption on the inner surface.

TL;DR: In this article, the geometric and electronic structures of triphenylamine and N,N,′-diphenyl-N,N′-bis(3-methylphenyl)-(1,1′-biphensyl)-4,4′-dimine (TPD) were compared.

TL;DR: In this paper, an improved CVD method for preparation of carbon nanotubes with high productivity using a novel aerogel supported Fe/Mo catalyst was reported, and the total amount of high quality SWNTs produced is greater than 200% the weight of the catalysts.

TL;DR: In this paper, the authors measured the evolution of CO2 and CO(g) on heating to 1273 K and found that ∼5% of the carbon atoms in the c-SWNT samples were located at defective sites, capable of facile oxidation by O3.

TL;DR: The similarity among these proteins has been determined, showing that the most folded proteins are not similar among them, while the less folded ones are similar to each other.

TL;DR: In this article, the electron energy loss spectroscopy (EELS) and the Raman spectra were used to confirm the absence of sp2 bonded carbon and showed strong contributions from surface plasmons.

TL;DR: In this paper, the synthesis of chains of C60 molecules inside single-wall carbon nanotubes (SWNTs) is described, and the resulting Van der Waals interacting chains, called ''bucky-peapods'' are then formed into pairs of nested graphene cylinders.

TL;DR: In this article, the fragment molecular orbital method (FMO) was applied to the model peptides of (Gly)n and (Ala)n (n=5-20), [Met5]enkephalin (YGGFM), and the synthetic designed peptide ALPHA-1 (acetyl-ELLKKLLEELKG) and the calculated total energies compare well with those from the conventional ab initio MO method.

TL;DR: In this paper, the fluorescence intensity correlation function of a single CdSe quantum dot (QD) using a start-stop experiment was investigated, and strong photon antibunching was observed over a large range of intensities.

TL;DR: In this article, the authors extend earlier work on the gradients on excited-state surfaces using SCF and LDA (local density approximation) methods, to use gradient-corrected and hybrid functionals.

TL;DR: In this paper, the topological properties of the charge density ρ ( r b ) at the (3, − 1) bond critical points (BCPs) where the gradient of ρ( r ) vanishes were investigated.

TL;DR: In this article, some symmetry theorems are presented which simplify the task of designing multiple-pulse radio-frequency pulse sequences in magic-angle-spinning solid-state NMR.

TL;DR: In this article, the absorption spectra of three diAerent retinal isomers in the far-infrared region between 10 and 100 cm ˇ1 (0.3 −3.0 THz) were measured by terahertz time-domain spectroscopy at 298 and 10 K.

TL;DR: In this paper, the effects of processing on the structure and morphology of single-walled carbon nanotubes (SWNT) and their electrochemical intercalation with lithium were investigated.

TL;DR: In this paper, a new method for the perturbative calculation of the correlation energy due to connected triple excitations (T) in the framework of local coupled cluster theory (LCCSD) is presented, for which all computational resources scale linearly with molecular size.

TL;DR: In this article, a theoretical framework for the use of continuously phase modulated radio-frequency pulses for homonuclear decoupling in solid-state NMR was presented, and new families of decoupled sequences were derived using numerical optimization.

TL;DR: Two efficient algorithms for configurational sampling of systems with rough energy landscape and a new method for the determination of the multicanonical weight factor are proposed.

TL;DR: In this paper, the effects of confinement in nanotubes on the hydrogen bond structure of liquid water are studied by molecular dynamics simulation and the results indicate that the averaged number of hydrogen bonds decreases when compared with bulk water and it is roughly independent of the tube radius excepting for very narrow tubes, which suffer a dramatic destruction of the H-bond network.

TL;DR: In this article, the authors showed that the performance of NiO/NaTaOO3 photocatalysts was improved by doping of lanthanides, La, Pr, Nd, Sm, Gd, Tb and Dy into NaTaO3.

TL;DR: Amorphous silicon nanowires (a-SiNWs) with an average diameter of ca. 20 nm were synthesized at about 950°C under an Ar/H2 atmosphere on a large area of a (111) Si substrate without supplying any gaseous or liquid Si sources.