Ajitha Devarajan

The role of axial ligands for the structure and function of chlorophylls

Jimmy Heimdal, Kasper P. Jensen, Ajitha Devarajan et al. · JBIC Journal of Biological Inorganic Chemistry · 2006 · 58 citations · Full text

Life Sciences, Biochemistry, Chemistry +12

Two-component relativistic density functional method for computing nonsingular complex linear response of molecules based on the zeroth order regular approximation

Ajitha Devarajan, Alexander Gaenko, Jochen Autschbach · The Journal of Chemical Physics · 2009 · 44 citations

Natural Sciences, Chemistry, Physics +16

Structural and Photoluminescence Properties of Excited State Intramolecular Proton Transfer Capable CompoundsPotential Emissive and Electron Transport Materials

Alexander Gaenko, Ajitha Devarajan, Ulf Ryde · The Journal of Physical Chemistry A · 2006 · 39 citations

Natural Sciences, Chemistry, Materials Science +17

Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose

Sergiy Markutsya, Ajitha Devarajan, John Y. Baluyut et al. · The Journal of Chemical Physics · 2013 · 28 citations

Natural Sciences, Biochemistry, Biophysics +17

Ab initio DFT study of Z–E isomerization pathways of N–benzylideneaniline

Alexander Gaenko, Ajitha Devarajan, Laura Gagliardi et al. · Theoretical Chemistry Accounts · 2007 · 28 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +10