Search filters

List of works by Saadullah G Aziz

A density functional theory investigation of the electronic structure and spin moments of magnetite

scientific article published on 5 August 2014

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

scientific article published in June 2017

Eclipsed acetaldehyde as a precursor for producing vinyl alcohol

scientific article published on 20 November 2012

Erratum: "Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling" [J. Chem. Phys. 143, 074104 (2015)].

scientific article published in August 2016

How soil organic matter composition controls hexachlorobenzene-soil-interactions: adsorption isotherms and quantum chemical modeling.

scientific article

Influence of Molecular Shape on Solid-State Packing in Disordered PC61BM and PC71BM Fullerenes

scientific article published on 24 September 2014

Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes

scientific article published on 4 September 2015

Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid Functionals.

scientific article published on June 2014

UV excitations of halons.

scientific article published in November 2016

Understanding the decomposition reaction mechanism of chrysanthemic acid: a computational study

scientific article published on 30 October 2011

Understanding the effects of electronic polarization and delocalization on charge-transport levels in oligoacene systems

scientific article published in June 2017