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List of works by Pilarisetty Tarakeshwar

A new type of ionophore family utilizing the cation-olefinic pi interaction: theoretical study of [n]beltenes.

scientific article

An electrochemically controllable nanomechanical molecular system utilizing edge-to-face and face-to-face aromatic interactions.

scientific article published in October 2002

Assembling Phenomena of Calix[4]hydroquinone Nanotube Bundles by One-Dimensional Short Hydrogen Bonding and Displaced π−π Stacking

scientific article published on 01 November 2002

CO2 Preactivation in Photoinduced Reduction via Surface Functionalization of TiO2 Nanoparticles

scientific article published on 22 January 2013

Catalytic Mechanism of Enzymes: Preorganization, Short Strong Hydrogen Bond, and Charge Buffering†

scientific article published on 01 April 2002

Catalytic hydrogen evolution by Fe(II) carbonyls featuring a dithiolate and a chelating phosphine.

scientific article published on 11 August 2014

Cation−π−Anion Interaction: A Theoretical Investigation of the Role of Induction Energies

scientific article published on 26 July 2007

Characterization of weak NH-pi intermolecular interactions of ammonia with various substituted pi-systems

scientific article

Chemically induced magnetism in atomically precise gold clusters

scientific article published on 22 October 2013

Dimer to Monomer Phase Transition in Alkali-Metal Fullerides: Magnetic Susceptibility Changes

scientific article published in Physical Review Letters

Electrochemical Capture and Release of Carbon Dioxide Using a Disulfide-Thiocarbonate Redox Cycle.

scientific article published on 4 January 2017

Exploring gas-phase ion-ionophore interactions: infrared spectroscopy of argon-tagged alkali ion-crown ether complexes.

scientific article published in January 2010

Hydration and Dissociation of Hydrogen Fluoric Acid (HF)

scientific article published on 01 June 2006

Hydrogen multicenter bonds and reversible hydrogen storage

scientific article published on 01 March 2009

Modulation of molecular conductance induced by electrode atomic species and interface geometry.

scientific article

Modulation of the electronic structure of semiconducting nanotubes resulting from different metal contacts

article published in 2005

Molecular Clusters of π-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies

scientific article published on 01 November 2000

Nature of hydrogen interaction and saturation on small titanium clusters

scientific article published on 01 March 2008

Olefinic vs. aromatic pi-H interaction: a theoretical investigation of the nature of interaction of first-row hydrides with ethene and benzene.

scientific article published in April 2001

On the Structure, Magnetic Properties, and Infrared Spectra of Iron Pseudocarbynes in the Interstellar Medium

scholarly article

Origin of the magic numbers of water clusters with an excess electron

scientific article published on 01 January 2005

Photoinduced kinetics of SERS in bioinorganic hybrid systems. a case study: dopamine-TiO2.

scientific article published on 5 August 2010

Polarizability as a Molecular Descriptor for Conductance in Organic Molecular Circuits

scientific article published on 3 November 2016

Probing Raman enhancement in a dopamine-Ti2O4 hybrid using stretched molecular geometries

scientific article published on 06 February 2014

Probing the Nature of Charge Transfer at Nano-Bio Interfaces: Peptides on Metal Oxide Nanoparticles

scientific article

Pseudocarbynes: Charge-Stabilized Carbon Chains.

scientific article

Pseudorotation in pyrrolidine: rotational coherence spectroscopy and ab initio calculations of a large amplitude intramolecular motion.

scientific article published on 9 November 2009

Role of Catalytic Residues in Enzymatic Mechanisms of Homologous Ketosteroid Isomerases†,‡

scientific article published on 01 November 2000

Simple and accurate correlation of experimental redox potentials and DFT-calculated HOMO/LUMO energies of polycyclic aromatic hydrocarbons

scientific article published on 9 December 2012

Single-Molecule Conductance through Hydrogen Bonds: The Role of Resonances.

scientific article published on 21 July 2016

Solvent Effects on the Dynamic Polarizability and Raman Response of Molecule-Metal Oxide Hybrid Clusters

scientific article published on 30 May 2016

Structural, energetic, and electronic properties of hydrogenated titanium clusters

scientific article published on 01 May 2008

Structures, energetics, and spectra of aqua-cesium (I) complexes: An ab initio and experimental study

scientific article published on 01 February 2007

Structures, energetics, and spectra of hydrated hydroxide anion clusters

scientific article published on 01 September 2004

Supersonic jet studies of solvation effects on the spectroscopy and photophysics of 4-diethylaminopyridine

scientific article

Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems

scientific article

Vibrational signatures of Watson-Crick base pairing in adenine-thymine mimics.

scientific article

Why the hydration energy of Au+ is larger for the second water molecule than the first one: Skewed orbitals overlap

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