Search
Now showing items 31-40 of 101
Stereochemical dependence of 3J CH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives
(American Chemical Society, 2011-11)
Theoretical and experimental studies on 3J C2H6eq NMR spin - spin coupling constants in both the 2-X-4-t-butyl-cyclohexanone (X = H, CH 3, F, Cl, and Br) and in their alcohol derivatives series are reported. Results thus ...
Quantum sensing using NV centers in diamond
(2018)
This thesis is focused on understanding the interaction of nitrogen vacancy
(NV) defect in diamond with its environment as well as its applications in
nanotechnology and biophysics. First, we study the hyperfine interaction
due ...
Quantum high-frequency conductivity oscillations in graphene multilayers and nodal semimetals in a tilted magnetic field
(Springer, 2017)
A new type of angular oscillations of the high-frequency conductivity for conductors with a band-contact line has been predicted. The effect is caused by groups of charge carriers near the self-intersection points of the ...
Trapping effects on short-range two-body interactionsTrapping effects on short-range two-body interactions
(Revista Mexicana de Física, 2010)
On the Usage of Locally Dense Basis Sets in the Calculation of NMR Indirect Nuclear Spin–Spin Coupling Constants: Vicinal Fluorine–Fluorine Couplings
(Elsevier Inc, 2005)
Locally dense basis set were developed for correlated ab initio calculations of vicinal fluorine fluorine indirect nuclear spin spin couplings in several saturated and unsaturated fluorinated hydrocarbons. We find that ...
The effect of lone pairs and electronegativity on the indirect nuclear spin‐spin coupling constants in CH₂X (X=CH₂, NH, O, S): Ab initio calculations using optimized contracted basis sets
(American Institute of Physics, 2001-07)
The indirect nuclear spin–spin coupling constants of C₂H4, CH₂NH, CH₂O,CH₂O, and CH₂S were investigated by means of correlated ab initio calculations at the level of the second order polarization propagator approximation ...
NMR spin-spin coupling constants and hyperconjugative interactions
(John Wiley & Sons Inc, 2010-06)
The potential of NMR spin-spin coupling constants as probes to study fine details of electronic molecular structures is briefly discussed in this work through two different examples. A qualitative analysis of the polarization ...
Analysis of the electronic origin of the1JCH spin-spin coupling trend in 1-X-cyclopropanes: Experimental and DFT study
(American Chemical Society, 2008-11)
A conceptual analysis of the CLOPPA (Contributions from Localized Orbitals within the Polarization Propagator Approach) expressions that deconvolute NMR spin-spin coupling constants [Diz A. C.; Giribet C. G.; Ruiz de Azúa, ...
Spin-dependent conductance in nonmagnetic InGaAs asymmetric double barrier devices
(Sociedade Brasileira de Física, 2004-06)
The spin dependence of the conductance of an asymmetric double-barrier InGaAs device is studied within the multiband k•p and envelope function approximations. The spin-dependent transmission probability for electrons across ...
Dynamical thermalization of interacting fermionic atoms in a sinai oscillator trap
(Multidisciplinary Digital Publishing Institute, 2019-08-08)
We study numerically the problem of dynamical thermalization of interacting cold fermionic atoms placed in an isolated Sinai oscillator trap. This system is characterized by a quantum chaos regime for one-particle dynamics. ...