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Many potential applications have been proposed for carbon nanotubes, including conductive and high-strength composites; energy storage and energy conversion devices; sensors; field emission displays and radiation sources...

The calculation of accurate electron affinities (EAs) of atomic or molecular species is one of the most challenging tasks in quantum chemistry. We describe a reliable procedure for calculating the electron affinity of an...

Abstract An enzymatic method is described for determination of total serum cholesterol by use of a single aqueous reagent. The method requires no prior treatment of sample and the calibration curve is linear to 600 mg/dl...

This critical review shows the basis of photocatalytic water splitting and experimental points, and surveys heterogeneous photocatalyst materials for water splitting into H2 and O2, and H2 or O2 evolution from an aqueous...

Molecular structure does not easily identify the intricate noncovalent interactions that govern many areas of biology and chemistry, including design of new materials and drugs. We develop an approach to detect noncovale...

An extended basis set of atomic functions expressed as fixed linear combinations of Gaussian functions is presented for hydrogen and the first-row atoms carbon to fluorine. In this set, described as 4–31 G, each inner ...

In the present study antioxidant, anti-inflammatory and analgesic potential of the methanolic extract of Cucumis sativus seeds was evaluated. Extraction of the seeds was carried out using solvents of increasing polarity....

Sobre la base de mediciones dieléctricas de soluciones muy diluidas de sulfametoxazol en etanol a 25 °C se calculó su momento dipolar (µ) utilizando la ecuación de Buckingham que resultó µ=11,61 D. El estudio teó...

Fil: Pierdominici Sottile, Gustavo. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. En el presente trabajo se utilizó un método mixto clásico-cuántico para estudiar la etapa determi...

"The on growing global energy demand and the increasing need to reduce greenhouse gas emissions in order to avoid the worst case scenarios of global warming, forces to introduce cleaner and more sustainable technologies ...

We fit the BOOMERANG, MAXIMA and COBE/DMR measurements of the cosmic microwave background anisotropy in spatially flat cosmological models where departures from standard recombination of the primeval plasma are parametri...

"The thermochemical decomposition of beech wood biomass results in a poor quality bio-oil, which cannot be directly used in diesel engines. In order to make this oil resemble liquid fossil fuels, an upgrading technique s...

Docking studies of few substituted 5-benzyl-2, 4-thiazolidinedione moiety, which acts as peroxisome proliferator-activated receptor γ agonist was performed by using Glide v4.5. The docking studies reveal hydrogen bond f...

Durante el presente trabajo de tesis se estudió el proceso de síntesis de nanopartículas de oro soportadas en óxidos reducibles (CeO2, Nb2O5, FeOOH, MnFeOOH y CoFeOOH) y la aplicación de estos sistemas en la hidroge...

"The thermochemical decomposition of beech wood biomass results in a poor quality bio-oil, which cannot be directly used in diesel engines. In order to make this oil resemble liquid fossil fuels, an upgrading technique s...

Abstract: We present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and interaction energies of proteins, nucleic acids, and many related organic molecule...

Electrocatalysis plays a central role in clean energy conversion, enabling a number of sustainable processes for future technologies. This review discusses design strategies for state-of-the-art heterogeneous electrocata...