Konu "Giao" için Makale Koleksiyonu listeleme
Toplam kayıt 8, listelenen: 1-8
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gNMR simulated H-1 and proton-coupled C-13 NMR spectra of substituted 3-nitropyridines. GIAO/DFT calculated values of proton and carbon chemical shifts and coupling constants
(Elsevier Science BV, 2006)The magnitude of one bond and long-range coupling constants in 3-nitropyridine 1 and its derivatives 2-16 were determined from the proton-coupled C-13 NMR spectra in CDCl3. The GIAO/DFT (Density Functional Theory/Gauge ... -
H-1 C-13 NMR and (n)J(CH) coupling constants investigation of 4-Phenylpyridine: A combined experimental and theoretical study
(Elsevier Science BV, 2007)Proton coupled and uncoupled C-13, H-1, DEPT, COSY and HETCOR NMR spectra of 4-Phenylpyridine (4-Phpy) have been reported for the first time except for its H-1 NMR spectrum. In order to provide a precise structural elucidation ... -
NMR spectra, GIA and charge density calculations of five-membered aromatic heterocycles
(Wiley-Blackwell, 2007)The B3LYP/6-31+G(d) molecular geometry optimized structures of 17 five-membered heterocycles were employed together with the gauge including atomic orbitals (GIAO) density functional theory (DFT) method at the B3LYP/6-31+G(d,p), ... -
Nmr Spectroscopic Study and Dft Calculations of Giao Nmr Shieldings and (1)J(Ch) Spin-Spin Coupling Constants of 1,9-Diaminononane
(Chem Soc Ethiopia, 2009)H-1, proton coupled and decoupled C-13, DEPT, HETCOR NMR spectra, the magnitude of one bond (1)J(CH) coupling constants and C-13 NMR spin-lattice relaxation time (T-1) of 1,9-diaminononane (danon, C9H22N2) have been reported ... -
NMR spectroscopic study and DFT calculations of GIAO NMR shieldings and 1JCH, spin-spin coupling constants of 1,9-diaminononane
(Chemical Society of Ethiopia, 2009)1H, proton coupled and decoupled l3C, DEPT, HETCOR NMR spectra, the magnitude of one bond 1Jch coupling constants and l3C NMR spin-lattice relaxation time (T1) of 1,9-diaminononane (danon, C9H22N2) have been reported for ... -
Nmr spectroscopic study and dft calculations of vibrational analyses, giao NMR shieldings and 'JCH, 'Jcc spin-spin coupling constants of 1,7-diaminoheptane
(2009)Vibrational frequencies and approximate mode descriptions of 1,7-diaminoheptane (dahp) have been determined via Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-31G(d) basis set. 'H, proton coupled and uncoupled ... -
Nmr Spectroscopic Study and Dft Calculations of Vibrational Analyses, Giao Nmr Shieldings and (1)J(Ch), (1)J(Cc) Spin-Spin Coupling Constants of 1,7-Diaminoheptane
(Chem Soc Ethiopia, 2009)Vibrational frequencies and approximate mode descriptions of 1,7-diaminoheptane (dahp) have been determined via Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-31G(d) basis set. H-1, proton coupled and ... -
One-bond and long-range coupling constants of substituted 2-cyanopyridines. GIAO/DFT calculations of proton and carbon chemical shifts and coupling constants
(Elsevier Science BV, 2006)The magnitude of one bond and long-range coupling constants ((n)J(HH) and (n)J(CH)) in isomeric cyanopyridines-(1, 2, 3), methyl-(4, 5, 6, 7), 3-ethyl-(8), chloro-(9), 3-bromo-(10), acetyl-(11, 12), 5-ethoxycarbonyl-(13) ...