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Unique magnetic shielding and bonding in Pnicogen nortricyclane Zintl clusters
(Elsevier B.V., 2020)
Revisiting (anti)aromaticity and chemical bond in planar BXNX clusters (x = 2-11)
(John Wiley and Sons Inc., 2020)
Drug delivery via α-Cyclodextrin: A Statistical-Nucleus Independent Chemical Shifts (S-NICS) study
(Universidad del Zulia, 2020)
Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis
(John Wiley and Sons Ltd, 2019)
Why downfield proton chemical shifts are not reliable aromaticity indicators
(American Chemical Society, 2005-12)
(Chemical Equation Presented) Traces of magnetizability, traces of magnetic shielding at the hydrogen nuclei, and nucleus-independent chemical shift are not reliable aromaticity quantifiers for planar conjugated hydrocarbons. ...
Factors affecting the use of 13Cα chemical shifts to determine, refine, and validate protein structures
(Veterinary and Human Toxicology, 2008-05)
Interest centers here on the analysis of two different, but related, phenomena that affect side-chain conformations and consequently 13Cα chemical shifts and their applications to determine, refine, and validate protein ...
Unique magnetic shielding and bonding in Pnicogen nortricyclane Zintl clusters
(Chemical Physics Letters, 2020)
Estudo teórico de nano sistemas de azulenos: azulfenos, ANTs, poliazulenos e polinaftalenos
(Universidade Federal de São CarlosUFSCarPrograma de Pós-Graduação em Química - PPGQCâmpus São Carlos, 2020-08-03)
Azulene-based nanographene-like materials are predicted and studied to reveal the molecular properties of these new materials. C48H18/(G-48), C68H22/(G-68), and C88H26/(G-88) nanographenes and their isomers based on azulene ...
Is Al2Cl6 Aromatic? Cautions in Superficial NICS Interpretation
(AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2013)
Magnetically induced current density using London atomic orbitals of dihydroindeno-[1,2-b]-fluorenes
(2018)
We present a study of the magnetically induced current density, calculated using London atomic orbitals, for the cis and trans isomers of dihydroindeno-[1,2-b]-fluorene (IF) and a set of 12 substituted macrocycles (where ...