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11.829 Aktuelle Fachpublikationen zum Thema temperature

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Supramolecular photochemistry: from molecular crystals to water-soluble capsules

22.10.2014 | V. Ramamurthy; Shipra Gupta, Chemical Society Reviews, 2014

Photochemical and photophysical behavior of molecules in supramolecular assemblies are different and more selective than in gas and isotropic solution phases. Knowledge of the inherent electronic and steric properties of the reactant is insufficient to predict the excited state behavior of ...

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Framework Stabilization of Si-Rich LTA Zeolite Prepared in Organic-Free Media

22.10.2014 | Marlon T Conato; Matthew D Oleksiak; B. Peter McGrail; Radha Kishan Motkuri; Jeffrey D Rimer, Chemical Communication, 2014

Zeolite HOU-2 (LTA type) is prepared with the highest silica content (Si/Al = 2.1) reported for Na-LTA zeolites without the use of an organic structure-directing agent. The rational design of Si-rich zeolites has the potential to improve their thermal stability for applications in catalysis, gas ...

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Why is sulfuric acid a much stronger acid than ethanol? Determination of the contributions by inductive/field effects and electron-delocalization effects

21.10.2014 | Kevin Lynch; Adam Maloney; Austin Sowell; Changwei Wang; Yirong Mo; Joel M. Karty, Physical Chemistry Chemical Physics, 2014

Two different and complementary computational methods were used to determine the contributions by inductive/field effects and by electron-delocalization effects toward the enhancement of the gas-phase deprotonation enthalpy of sulfuric acid over ethanol. Our alkylogue extrapolation method ...

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Transport diffusivity of propane and propylene inside SWNTs from equilibrium molecular dynamics simulations

21.10.2014 | Hongjun Liu, Physical Chemistry Chemical Physics, 2014

The gas transport of two model gases (propane and propylene) inside the single-walled nanotubes (SWNTs) of various diameters was systematically investigated using the molecular dynamics (MD) simulations. The thermodynamic factor can be obtained directly from equilibrium MD simulations following ...

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A high-pressure-induced dense CO overlayer on a Pt(111) surface: a chemical analysis using in situ near ambient pressure XPS

21.10.2014 | Ryo Toyoshima; Masaaki Yoshida; Yuji Monya; Kazuma Suzuki; Kenta Amemiya; Kazuhiko Mase; Bongjin Simon Mun; Hiroshi ..., Physical Chemistry Chemical Physics, 2014

We investigated the high-density CO adsorption phase formed on a Pt(111) surface when exposed to CO gas of pressure ranging from UHV to 100 mTorr using near-ambient-pressure (NAP)-XPS. Combined results from the NAP-XPS measurements and DFT calculations reveal the adsorption structure of CO ...

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Isotope Ratio Analysis of Carbon and Nitrogen by Elemental Analyser Continuous Flow Isotope Ratio Mass Spectrometry (EA-CF-IRMS) without the Use of a Reference Gas

21.10.2014 | Lian Jie Bay; Joanne Sheot Harn Chan; Thomas Walczyk, Journal of Analytical Atomic Spectrometry, 2014

A new approach to normalize measured isotope ratios (carbon and nitrogen) in elemental analyser continuous flow isotope ratio mass spectrometry (EA-CF-IRMS) was evaluated. Isotope ratios of the sample are altered during the IRMS measurement and must be corrected for instrumental isotope ...

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Responsive Ionic Liquid-Polymer 2D Photonic Crystal Gas Sensors

21.10.2014 | Natasha Lynn Smith; Zhenmin Hong; S A Asher, Analyst, 2014

We developed novel air-stable 2D polymerized photonic crystal (2DPC) sensing materials for visual detection of gas phase analytes such as water and ammonia by utilizing a new ionic liquid, ethylguanidine perchlorate (EGP) as the mobile phase. Because of the negligible ionic liquid vapor pressure ...

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Probing the kinetic energy-release dynamics of H-atom products from the gas-phase reaction of O(3P) with vinyl radical C2H3

21.10.2014 | Su-Chan Jang; Jong-Ho Choi, Physical Chemistry Chemical Physics, 2014

The gas-phase radical–radical reaction dynamics of ground-state atomic oxygen O(3P) with vinyl radicals C2H3 has been studied by combining the results of vacuum-ultraviolet laser-induced fluorescence spectroscopy in a crossed beam configuration with ab initio calculations. The two radical ...

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Chiral recognition of Propranolol enantiomers by β-Cyclodextrin: quantum chemical calculation and molecular dynamics simulation studies

19.10.2014 | Author(s): Mohammad Hadi Ghatee , Tahereh Sedghamiz, Chemical Physics, 2014

Publication date: Available online 15 October 2014 Source:Chemical Physics Author(s): Mohammad Hadi Ghatee , Tahereh Sedghamiz Enantiomeric recognition of Propranolol by complexation with β-Cyclodextrine was studied by PM3 method and molecular dynamics (MD) simulation. Gas phase results ...

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Signatures of a Two‐Dimensional Ferromagnetic Electron Gas at the La0.7Sr0.3MnO3/SrTiO3 Interface Arising From Orbital Reconstruction

18.10.2014 | Norbert Marcel Nemes, María José Calderón, Juan Ignacio Beltrán, Flavio Yair Bruno, Javier García‐Barriocanal, Zouha ..., Advanced Materials, 2014

Magnetoresistance of La0.7Sr0.3MnO3/SrTiO3superlattices with magnetic field rotating out‐of‐plane shows unexpected peaks for in‐plane fields. Resistivity calculations with spin‐orbit coupling reveal that orbital reconstruction at the manganite interface leads to a 2‐dimensional ferromagnetic ...

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