Lista de obras - P Tarakeshwar - Dominio Público Uruguay

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

artículo científico publicado en 2002

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

artículo científico publicado en 2002

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

artículo científico publicado en 2002

CO2 Preactivation in Photoinduced Reduction via Surface Functionalization of TiO2 Nanoparticles

artículo científico publicado en 2013

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

artículo científico publicado en 2002

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

artículo científico publicado en 2014

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

artículo científico publicado en 2007

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

artículo científico publicado en 2006

Chemically induced magnetism in atomically precise gold clusters

artículo científico publicado en 2013

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

artículo científico publicado en 2000

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

artículo científico publicado en 2017

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

artículo científico publicado en 2010

Hydration and Dissociation of Hydrogen Fluoric Acid (HF)

scientific article published on 01 June 2006

Hydrogen multicenter bonds and reversible hydrogen storage

artículo científico publicado en 2009

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

artículo científico publicado en 2006

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

artículo científico publicado en 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.

artículo científico publicado en 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

artículo científico publicado en 2005

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

artículo científico publicado en 2010

Polarizability as a Molecular Descriptor for Conductance in Organic Molecular Circuits

artículo científico publicado en 2016

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

artículo científico publicado en 2014

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

artículo científico publicado en 2014

Pseudocarbynes: Charge-Stabilized Carbon Chains

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 2012

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

artículo científico publicado en 2016

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

artículo científico publicado en 2016

Structural, energetic, and electronic properties of hydrogenated titanium clusters

artículo científico publicado en 2008

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

artículo científico publicado en 2007

Structures, energetics, and spectra of hydrated hydroxide anion clusters

artículo científico publicado en 2004

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

artículo científico publicado en 2007

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

artículo científico publicado en 2007

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

artículo científico publicado en 2013

Lista de obras de P Tarakeshwar

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

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

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

CO2 Preactivation in Photoinduced Reduction via Surface Functionalization of TiO2 Nanoparticles

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

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

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

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

Chemically induced magnetism in atomically precise gold clusters

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

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

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

Hydration and Dissociation of Hydrogen Fluoric Acid (HF)

Hydrogen multicenter bonds and reversible hydrogen storage

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

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

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

Nature of hydrogen interaction and saturation on small titanium clusters

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

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

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

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

Polarizability as a Molecular Descriptor for Conductance in Organic Molecular Circuits

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

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

Pseudocarbynes: Charge-Stabilized Carbon Chains

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

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

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

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

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

Structural, energetic, and electronic properties of hydrogenated titanium clusters

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

Structures, energetics, and spectra of hydrated hydroxide anion clusters

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

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

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

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