Search Results - "Krishnakumar, Parvathi"

Microhydration of Neutral and Charged Acetic Acid by Krishnakumar, Parvathi, Maity, Dilip Kumar

“…A systematic theoretical study has been carried out on the effect of sequential addition of water molecules to neutral and mono positively charged acetic acid…”
Get full text

A two level approach to predict minimum energy structures of higher hydrated clusters of oxalic acid by Krishnakumar, Parvathi, Maity, Dilip Kumar

“…Most stable structure of hydrated oxalic acid, (COOH)2·12H2O. Atom centered Density Matrix Propagation (ADMP) molecular dynamic simulation is applied to find…”
Get full text

Microhydration of oxalic acid leading to dissociation by Krishnakumar, Parvathi, Maity, Dilip Kumar

“…The effect of microhydration on the simplest dicarboxylic acid, namely oxalic acid, leading to the dissociation of its proton, is studied using first…”
Get full text

Effect of Microhydration on Dissociation of Trifluoroacetic Acid by Krishnakumar, Parvathi, Maity, Dilip Kumar

“…First-principle-based electronic structure calculations were carried out on microhydrated trifluoroacetic acid clusters (CF3COOH, tfa) to understand its…”
Get full text

Microhydration of 2‑Naphthol at Ground, First Excited Triplet, and First Excited Singlet States: A Case Study on Photo Acids by Krishnakumar, Parvathi, Kar, Rahul, Maity, Dilip Kumar

“…Molecular interactions of 2-naphthol (nap) with water molecules are studied at the ground, first excited triplet and first excited singlet states, applying DFT…”
Get full text

Theoretical studies on dimerization vs. microhydration of carboxylic acids by Krishnakumar, Parvathi, Maity, Dilip Kumar

“…[Display omitted] •In presence of sufficient number of water molecules, dimeric structures of carboxylic acid break down.•Breaking of dimeric structures is…”
Get full text

Supramolecularly Assisted Modulation of Optical Properties of BODIPY–Benzimidazole Conjugates by Thakare, Shrikant S, Chakraborty, Goutam, Krishnakumar, Parvathi, Ray, Alok K, Maity, Dilip K, Pal, Haridas, Sekar, Nagayan

“…Supramolecular host–guest interaction of neutral and cationic (protonated) forms of two boron-dipyromethane (BODIPY)–benzimidazole (mono- and di-benzimidazole)…”
Get full text

Lead biosorption onto waste beer yeast by-product, a means to decontaminate effluent generated from battery manufacturing industry by Parvathi, Krishnakumar, Nagendran, Ramachandramurthy, Nareshkumar, Radhakrishnan

“…This paper projects the potential of waste beer yeast Saccharomyces cerevisiae in biosorbing lead from battery manufacturing industrial effluent. Experiments…”
Get full text

Lead biosorption onto waste beer yeast by-product: a means to decontaminate effluent generated from battery manufacturing industry by Parvathi, Krishnakumar, Nagendran, Ramachandramurthy, Nareshkumar, Radhakrishnan

“…This paper projects the potential of waste beer yeast Saccharomyces cerevisiae in biosorbing lead from battery manufacturing industrial effluent. Experiments…”
Get full text