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Toplam kayıt 189, listelenen: 81-90
The High Pressure Structure And Equation Of State Of 2,6-Diamino-3,5-Dinitropyrazine-1-Oxide (Llm-105) Up To 20 Gpa: X-Ray Diffraction Measurements And First Principles Molecular Dynamics Simulations
(Amer Inst Physics, 2015)
Recent theoretical studies of 2,6-diamino-3,5-dinitropyrazine-1-oxide (C4H4N6O5 Lawrence Liver-more Molecule No. 105, LLM-105) report unreacted high pressure equations of state that include several structural phase ...
Thermal Decomposition Of Allantoin As Probed By Matrix Isolation Ftir Spectroscopy
(Pergamon-Elsevier Science Ltd, 2009)
The optimized geometries, energies of the possible conformers of allantoin (2,5-dioxo-4-imidazolidinyl urea, the diureide of glyoxylic acid) as well as the barriers for conformational interconversion have been calculated ...
Theoretical Investigation Of The Anti-Parkinson Drug Rasagiline And Its Salts: Conformations And Infrared Spectra
(Sciendo, 2012)
The conformational analysis of rasagiline [N-propargyl-1(R)-aminoindan] was performed by the density functional theory (DFT) B3LYP method using the 6-31++G (d,p) basis set. A single point energy calculations based on the ...
The Phenylhydrazone Form Of 2-Phenylazo-1,3-Indandione
(Munksgaard Int Publ Ltd, 1994)
In the solid state, 2-phenylazo-1,3-indandione, C1.5H10N2O2, exists as a keto-hydrazone tautomer 2-phenylhydrazono-1,3-indandione. The bond distance of one of the keto groups, is slightly elongated [1.230 (3) cf. 1.217 (2) ...
A Goal-Driven Evaluation Method Based on Process Mining for Healthcare Processes
(Mdpi, 2018)
As a business processes management technique, process mining (PM) has been applied in many domains in the last decade. In healthcare, where most processes are complex, variable, dynamic, and multi-disciplinary in nature, ...
Investigation of in Vitro Opioid Receptor Binding Activities of Some Turkish Salvia Species
(Acg Publications, 2011)
Kappa Opioid Peptide Receptor (KOPr) activation produces analgesic, psychotomimetic, diuretic and antipruritic effects. KOPr ligands are investigated for their potential roles in the treatment of addiction, depression, ...
Electron Spray Ionization Mass Spectrometry And 2D P-31 Nmr For Monitoring O-18/O-16 Isotope Exchange And Turnover Rates Of Metabolic Oligophosphates
(Springer Heidelberg, 2012)
A new method was here developed for the determination of O-18-labeling ratios in metabolic oligophosphates, such as ATP, at different phosphoryl moieties (alpha-, beta-, and gamma-ATP) using sensitive and rapid electrospray ...
A Combined First Principles TDDFT and Experimental Study on the Uv-Vis Spectra Properties of M(P-Nitrophenyl Azo Resorcinol)(3) Complexes (M: Fe, Cr)
(Scientific Technical Research Council Turkey-Tubitak, 2014)
UV-Vis absorption data of p-nitrophenyl azo resorcinol (Magneson I) and its 2 Fe(III) and Cr(III) complexes were investigated both experimentally and theoretically. The geometries were optimized at BP86/TZVP level. The ...
Electroanalysis And Electrocatalysis Using Poly(Vinylferrocenium) Perchlorate Coated Electrodes
(Blackwell Science Ltd, 1997)
Electroanalytical applications based on the electrochemical behavior of the redox polymer, poly(vinylferrocenium) perchlorate (PVF+ClO4-) coated as a film on Pt surfaces, are described. This chemically modified surface is ...
Electrochemically Generated Catalyst System With Increased Specificity And Efficiency For Olefin Metathesis
(Elsevier Science Sa, 2003)
A facile route for the electrochemical generation of an olefin metathesis catalyst from methylene chloride solution Of WCl6 was described. It was found that reductive, oxidative and pulse electrolysis produced the same ...