Chandan Kumar

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Magnetically induced ring-current strength susceptibilities and nucleus independent chemical shifts (NICS) have been studied for 15 single-ring aromatic, antiaromatic, and nonaromatic molecules. The current densities have been calculated at the density functional theory (DFT), Hartree-Fock (HF) theory, and second-order Møller-Plesset perturbation theory(More)
Piezoelectric based bimorph mirrors (PBM) find extensive use in focusing of x-ray beams. Many optical instruments require use of PBM whose radii of curvature can be tuned precisely. The 100 mm and 300 mm PBMs were fabricated with varying piezoelectric to fused silica plate thicknesses. The radii of curvature of free standing mirrors were measured as a(More)
An atomic orbital density matrix based response formulation of the nuclei-selected approach of Beer, Kussmann, and Ochsenfeld [J. Chem. Phys. 134, 074102 (2011)] to calculate nuclear magnetic resonance (NMR) shielding tensors has been developed and implemented into LSDalton allowing for a simultaneous solution of the response equations, which significantly(More)
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