List of works - Cherumuttathu H Suresh

A DFT study on 1,4-dihydro-1,4-azaborinine annulated linear polyacenes: Absorption spectra, singlet-triplet energy gap, aromaticity, and HOMO-LUMO energy modulation

scientific article published on 07 August 2017

A Method for the Preparation of β-Amino-α,β-unsaturated Carbonyl Compounds: Study of Solvent Effect and Mechanism

scientific article published on 28 January 2020

A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and Nitrogen.

scientific article published on 22 January 2018

A Supramolecular Nanocomposite as a Near-Infrared-Transmitting Optical Filter for Security and Forensic Applications.

scientific article

Absorption and emission properties of 5-phenyl tris(8-hydroxyquinolinato) M(III) complexes (M = Al, Ga, In) and correlations with molecular electrostatic potential

scientific article published on 14 April 2020

Accurate prediction of cation-π interaction energy using substituent effects

scientific article published on 5 June 2012

Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics

scientific article published on 20 March 2017

An Unsymmetrical Squaraine-Dye-Based Chemical Platform for Multiple Analyte Recognition

scientific article

Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT

scientific article published on 19 May 2010

Appraisal of through-bond and through-space substituent effects via molecular electrostatic potential topography

scientific article published on 02 November 2010

Assessment of stereoelectronic factors that influence the CO2 fixation ability of N-heterocyclic carbenes: a DFT study

scientific article published on 11 January 2012

Calix[4]arene Based Redox Sensitive Molecular Probe for SERS Guided Recognition of Labile Iron Pool in Tumor Cells

scientific article published on 29 May 2018

Computational prediction of promising pyrazine and bipyridine analogues of a fluorinated MOF platform, MFN-Ni-L (M = SI/AL; N = SIX/FIVE; L = pyr/bipyr), for CO2 capture under pre-humidified conditions

scientific article published on 01 July 2019

Conformational control in a bipyridine linked π-conjugated oligomer: cation mediated helix unfolding and refolding

scientific article published on 7 October 2010

DFT prediction of multitopic N-heterocyclic carbenes using Clar's aromatic sextet theory

scientific article published on 15 March 2013

DFT study on the mechanism of water-assisted dihydrogen elimination in group 6 octahedral metal hydride complexes

scientific article published on 01 August 2012

DPPH radical scavenging activity of tricin and its conjugates isolated from "Njavara" rice bran: a density functional theory study

scientific article published on 22 March 2012

Electrostatic Topographical Viewpoint of π-Conjugation and Aromaticity of Hydrocarbons

scientific article published on 07 November 2019

Electrostatics for probing lone pairs and their interactions

scientific article published in November 2017

Fluorine interaction controlled AIEE phenomenon in an expanded calixbenzophyrin and its vapoluminescent response: turn on emission with volatile ketones and esters

scientific article published on 01 March 2013

Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study

scientific article published on 03 January 2022

Liquid crystalline phase behavior of high molecular weight DNA: a comparative study of the influence of metal ions of different size, charge and binding mode

scientific article published on 30 May 2008

Massive dihydrogen uptake by anionic carbon chains

scientific article published on 8 February 2017

Mechanism of epoxide hydrolysis in microsolvated nucleotide bases adenine, guanine and cytosine: a DFT study

scientific article published on 31 May 2011

Mechanisms of reductive eliminations in square planar Pd(II) complexes: nature of eliminated bonds and role of trans influence

scientific article published on 01 August 2011

Metal-Free Multiple Carbon-Carbon and Carbon-Hydrogen Bond Activations via Charge-Switching Mechanism in Unstrained Diindolylmethanes

scientific article published in August 2017

Modified 26 and 28 pi hexaphyrins with five meso-links: optical, redox, and structural properties

scientific article published in June 2009

Molecular Electrostatic Potential Reorganization Theory to Describe Positive Cooperativity in Noncovalent Trimer Complexes

scientific article published on 05 March 2020

Molecular Electrostatic Potential Topology Analysis of Noncovalent Interactions

scientific article published in 2023

Oxidation reactions of 2-thiouracil: a theoretical and pulse radiolysis study

scientific article published on 24 October 2012

Predicting reduction potentials of 1,3,6-triphenyl fulvenes using molecular electrostatic potential analysis of substituent effects

scientific article published on 10 January 2018

Protonation-Triggered Hückel and Möbius Aromatic Transformations in Nonaromatic Core-Modified [30]Hexaphyrin(2.1.1.2.1.1) and Annulated [28]Hexaphyrin(2.1.1.0.1.1)

scientific article published on 25 November 2019

Quantification of Thermodynamic Hydridicity of Hydride Complexes of Mn, Re, Mo, and W Using the Molecular Electrostatic Potential

scientific article published on 23 March 2017

Quantification of mutual trans influence of ligands in Pd(II) complexes: a combined approach using isodesmic reactions and AIM analysis

scientific article published on 12 November 2009

Quantification of the trans influence in hypervalent iodine complexes.

scientific article published on 28 December 2011

Quantitative assessment of substituent effects on cation-π interactions using molecular electrostatic potential topography

scientific article published on 03 August 2011

Role of stereoelectronic features of imine and enamine in (S)-proline catalyzed Mannich reaction of acetaldehyde: an in silico study

scientific article published on 08 April 2011

Substituent Effect Parameters: Extending the Applications to Organometallic Chemistry

scientific article published on 17 March 2020

Substituent Effect Transmission Power of Alkyl, Alkenyl, Alkynyl, Phenyl, Thiophenyl, and Polyacene Spacers

scientific article published on 13 June 2019

Substituent effects in cation-π interactions: a unified view from inductive, resonance, and through-space effects

scientific article published on 13 May 2011

Sumanene: an efficient π-bowl for dihydrogen storage

scientific article published on 12 February 2018

Synthesis of symmetrical and unsymmetrical triarylpyrylium ions via an inverse electron demand Diels-Alder reaction

scientific article published on 18 October 2018

Tandem α-Arylation/Cyclization of 4-Haloacetoacetates with Arynes: A Metal-Free Approach toward 4-Aryl-3-(2 H)-furanones

scientific article published on 16 April 2019

Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis

scientific article published on 24 April 2017

Trans and cis influences in hypervalent iodine(III) complexes: a DFT study

scientific article published on 08 May 2013

Two non-identical twins in one unit cell: characterization of 34π aromatic core-modified octaphyrins, their structural isomers and anion bound complexes

scientific article published on 15 May 2019

Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine

scientific article published in July 2009

Use of molecular electrostatic potential at the carbene carbon as a simple and efficient electronic parameter of N-heterocyclic carbenes

scientific article published on 01 May 2010

Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using Gaussian09.

scientific article

List of works by Cherumuttathu H Suresh

A DFT study on 1,4-dihydro-1,4-azaborinine annulated linear polyacenes: Absorption spectra, singlet-triplet energy gap, aromaticity, and HOMO-LUMO energy modulation

A Method for the Preparation of β-Amino-α,β-unsaturated Carbonyl Compounds: Study of Solvent Effect and Mechanism

A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and Nitrogen.

A Supramolecular Nanocomposite as a Near-Infrared-Transmitting Optical Filter for Security and Forensic Applications.

Absorption and emission properties of 5-phenyl tris(8-hydroxyquinolinato) M(III) complexes (M = Al, Ga, In) and correlations with molecular electrostatic potential

Accurate prediction of cation-π interaction energy using substituent effects

Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics

An Unsymmetrical Squaraine-Dye-Based Chemical Platform for Multiple Analyte Recognition

Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT

Appraisal of through-bond and through-space substituent effects via molecular electrostatic potential topography

Assessment of stereoelectronic factors that influence the CO2 fixation ability of N-heterocyclic carbenes: a DFT study

Calix[4]arene Based Redox Sensitive Molecular Probe for SERS Guided Recognition of Labile Iron Pool in Tumor Cells

Computational prediction of promising pyrazine and bipyridine analogues of a fluorinated MOF platform, MFN-Ni-L (M = SI/AL; N = SIX/FIVE; L = pyr/bipyr), for CO2 capture under pre-humidified conditions

Conformational control in a bipyridine linked π-conjugated oligomer: cation mediated helix unfolding and refolding

DFT prediction of multitopic N-heterocyclic carbenes using Clar's aromatic sextet theory

DFT study on the mechanism of water-assisted dihydrogen elimination in group 6 octahedral metal hydride complexes

DPPH radical scavenging activity of tricin and its conjugates isolated from "Njavara" rice bran: a density functional theory study

Electrostatic Topographical Viewpoint of π-Conjugation and Aromaticity of Hydrocarbons

Electrostatics for probing lone pairs and their interactions

Fluorine interaction controlled AIEE phenomenon in an expanded calixbenzophyrin and its vapoluminescent response: turn on emission with volatile ketones and esters

Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study

Liquid crystalline phase behavior of high molecular weight DNA: a comparative study of the influence of metal ions of different size, charge and binding mode

Massive dihydrogen uptake by anionic carbon chains

Mechanism of epoxide hydrolysis in microsolvated nucleotide bases adenine, guanine and cytosine: a DFT study

Mechanisms of reductive eliminations in square planar Pd(II) complexes: nature of eliminated bonds and role of trans influence

Metal-Free Multiple Carbon-Carbon and Carbon-Hydrogen Bond Activations via Charge-Switching Mechanism in Unstrained Diindolylmethanes

Modified 26 and 28 pi hexaphyrins with five meso-links: optical, redox, and structural properties

Molecular Electrostatic Potential Reorganization Theory to Describe Positive Cooperativity in Noncovalent Trimer Complexes

Molecular Electrostatic Potential Topology Analysis of Noncovalent Interactions

Oxidation reactions of 2-thiouracil: a theoretical and pulse radiolysis study

Predicting reduction potentials of 1,3,6-triphenyl fulvenes using molecular electrostatic potential analysis of substituent effects

Protonation-Triggered Hückel and Möbius Aromatic Transformations in Nonaromatic Core-Modified [30]Hexaphyrin(2.1.1.2.1.1) and Annulated [28]Hexaphyrin(2.1.1.0.1.1)

Quantification of Thermodynamic Hydridicity of Hydride Complexes of Mn, Re, Mo, and W Using the Molecular Electrostatic Potential

Quantification of mutual trans influence of ligands in Pd(II) complexes: a combined approach using isodesmic reactions and AIM analysis

Quantification of the trans influence in hypervalent iodine complexes.

Quantitative assessment of substituent effects on cation-π interactions using molecular electrostatic potential topography

Role of stereoelectronic features of imine and enamine in (S)-proline catalyzed Mannich reaction of acetaldehyde: an in silico study

Substituent Effect Parameters: Extending the Applications to Organometallic Chemistry

Substituent Effect Transmission Power of Alkyl, Alkenyl, Alkynyl, Phenyl, Thiophenyl, and Polyacene Spacers

Substituent effects in cation-π interactions: a unified view from inductive, resonance, and through-space effects

Sumanene: an efficient π-bowl for dihydrogen storage

Synthesis of symmetrical and unsymmetrical triarylpyrylium ions via an inverse electron demand Diels-Alder reaction

Tandem α-Arylation/Cyclization of 4-Haloacetoacetates with Arynes: A Metal-Free Approach toward 4-Aryl-3-(2 H)-furanones

Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis

Trans and cis influences in hypervalent iodine(III) complexes: a DFT study

Two non-identical twins in one unit cell: characterization of 34π aromatic core-modified octaphyrins, their structural isomers and anion bound complexes

Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine

Use of molecular electrostatic potential at the carbene carbon as a simple and efficient electronic parameter of N-heterocyclic carbenes

Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using Gaussian09.