Erratum to: “Modeling of NMR spectra and signal assignment using real-time DFT/GIAO calculations”
نویسندگان
چکیده
منابع مشابه
AB Initio Calculations of NMR Spectra for H20114C9N4 As A New Nanosemiconductor Molecule
BCN compounds have been researched theoretically and experimentally widely. In this paper, weintroduce the theoretical prediction of ternary B-C-N compounds. NMR spectroscopy was employedextensively to study these ternary nanostructures. We discuss the utilization of chemical shiftinformation as well as ab initio calculations of nuclear shielding for H20134C9N4 structuredetermination. We calcul...
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Estimation of harmonic interference parameters of surface-NMR signal using an adaptive method and residual signal power
Surface nuclear magnetic resonance (surface-NMR) method is a well-known tool for determining the water-bearing layers and subsurface resistivity structure. Harmonic interference is an inevitable interference in surface-NMR measurements. Accurate estimation of harmonic interference parameters (i.e., fundamental frequency, phase and amplitude) leads to better retrieval of power-line harmonics and...
متن کاملAutomatic assignment of 1H-NMR spectra of small molecules.
A novel data-evaluation procedure for the automatic atom to peak or multiplet assignment of 1H-NMR spectra of small molecules has been developed using a fast and robust expert system. The applicability and reliability of the method are demonstrated by comparison of a manually assigned database of 1H-NMR spectra with the assignments produced by the automatic procedure. The results of this analys...
متن کاملModeling and Verification of Priority Assignment in Real-Time Databases Using Uppaal
Real-time database management systems (RTDBMS) are recently subject of an intensive research. Model checking algorithms and verification tools are of great concern as well. In this paper we show some possibilities of using a verification tool Uppaal on some variants of priority assignment algorithms. We present some possible models of such algorithms expressed as nets of timed automata, which a...
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ژورنال
عنوان ژورنال: Russian Chemical Bulletin
سال: 2011
ISSN: 1066-5285,1573-9171
DOI: 10.1007/s11172-011-0405-3