Kadali Chaitanya

Theoretical study on the light harvesting efficiency of zinc porphyrin sensitizers for DSSCs

Kadali Chaitanya, Xue-Hai Ju, B. Mark Heron · RSC Advances · 2014 · 154 citations

Acceptor Group, Engineering, Energy Conversion +17

Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV–vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method

Kadali Chaitanya · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011 · 90 citations

First Order Hyperpolarizability, Chemical Engineering, Molecular Spectroscopy +10

Synthesis, crystal growth, thermal studies and scaled quantum chemical studies of structural and vibrational spectra of the highly efficient organic NLO crystal: 1-(4-Aminophenyl)-3-(3,4-dimethoxyphenyl)-prop-2-en-1-one

Lynnette Joseph, D. Sajan, V. Shettigar et al. · Materials Chemistry and Physics · 2013 · 47 citations

Materials Science, Quantum Chemical Studies, Vibrational Spectra +7

Growth, molecular structure, NBO analysis and vibrational spectral analysis of l-tartaric acid single crystal

V. Sasikala, D. Sajan, N. Vijayan et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 40 citations

Materials Science, Crystal Structure, Engineering +6

Can elongation of the π-system in triarylamine derived sensitizers with either benzothiadiazole and/or ortho-fluorophenyl moieties enrich their light harvesting efficiency? – a theoretical study

Kadali Chaitanya, Xue-Hai Ju, B. Mark Heron · RSC Advances · 2014 · 36 citations

Judicious Placement, Benzothiadiazole Group, Supramolecular Photochemistry +15