List of works - Santanab Giri

18-Electron rule inspired Zintl-like ions composed of all transition metals

scientific article

A Dual-Characteristic Bidentate Ligand for a Ternary Mononuclear Europium(III) Molecular Complex - Synthesis, Photophysical, Electrochemical, and Theoretical Study

scholarly article by Boddula Rajamouli et al published 29 July 2016 in European Journal of Inorganic Chemistry

A New Class of Superhalogen Based Anion Receptor in Li-Ion Battery Electrolytes

scientific article published on 05 March 2019

A computational study on the hydrogen adsorption capacity of various lithium-Doped boron hydrides

scientific article published on 25 November 2011

A conceptual density functional study of structure, bonding, reactivity and the possibility of bond-stretch isomerism in some neutral sulfur clusters, Sn(n=3–8)

A connection between softness and magnetizability

A novel strategy for reversible hydrogen storage in Ca(BH4)2.

scientific article published in June 2015

Acidity of meta- and para-substituted aromatic acids: a conceptual DFT study

An Atom Counting QSPR Protocol

An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach

An atom counting and electrophilicity based QSTR approach

article published in 2007

Analysis of the structure, bonding, aromaticity and existence of possible bond-stretch isomerism in trigonal anionic metal clusters, X[sub 3][sup −](X = Be,Mg,Ca)

Analyzing the efficiency of M n –(C2H4) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials

Application of activation hardness in perturbed pericyclic reactions: a case study involving electrocyclic ring opening reactions of heterocyclobutenes

Aromatic superhalogens.

scientific article

Aromaticity and conceptual density functional theory

Aromaticity and hydrogen storage capability of planar and rings

Aromaticity in all-metal annular systems: the counter-ion effect

scientific article published on 26 July 2011

Arsenic toxicity: an atom counting and electrophilicity-based protocol

article

Atom-Economical Palladium Carbon-Catalyzed de Novo Synthesis of Trisubstituted Nicotinonitriles

scientific article published on 11 August 2017

Bonding, aromaticity, and structure of trigonal dianion metal clusters

scientific article published in July 2010

Can Starlike C6Li6 be Treated as a Potential H2 Storage Material?

Catalyst electronic polarizability and enantiomeric excess in asymmetric hydrogenation

article published in 2010

Cationic Organic Nanoaggregates as AIE Luminogens for Wash-Free Imaging of Bacteria and Broad-Spectrum Antimicrobial Application

scientific article published on 27 January 2020

Charge-based DFT descriptors for Diels-Alder reactions

article published in 2012

Comment on "Ruling out any electrophilicity equalization principle".

scientific article published on 22 December 2011

Controlled Energy Transfer from a Ligand to an EuIII Ion: A Unique Strategy To Obtain Bright-White-Light Emission and Its Versatile Applications.

scientific article published on 24 August 2017

Correction to Oxidation-Induced Differentially Selective Turn-On Fluorescence via Photoinduced Electron Transfer Based on a Ferrocene-Appended Coumarin-Quinoline Platform: Application in Cascaded Molecular Logic

scientific article published on 20 October 2020

Corrigendum: Aromatic Superhalogens

scholarly article published in Chemistry—A European Journal

Deltahedral Organo-Zintl Superhalogens

scientific article published on 19 August 2018

Designing aromatic heterocyclic superacids in terms of Brønsted and Lewis perspectives

scientific article published on 08 January 2020

Dirichlet Boundary Conditions and Effect of Confinement on Chemical Reactivity

article

Electrophilicity Equalization Principle

Electrophilicity index within a conceptual DFT framework

article

Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations

article

Insights into the Mechanism of Ground and Excited State Double Proton Transfer Reaction in Formic Acid Dimer.

scientific article published on 20 November 2017

Insights into the Mechanism of an SN2 Reaction from the Reaction Force and the Reaction Electronic Flux

scientific article published on 01 October 2012

Investigation of hydrogen induced fluorescence in C60 and its potential use in luminescence down shifting applications

scientific article published in November 2016

Methane hydrates and their HF doped analogues

Modeling Ecotoxicity as Applied to some Selected Aromatic Compounds

Negative influence of pKa on activation energy barrier: A case study for double proton transfer reaction in inorganic acid dimers

scientific article published on 8 February 2018

Net Electrophilicity

scientific article published on 01 September 2009

Net reactivity index (Δω R±)

Organic heterocyclic molecules become superalkalis

article

Organic superhalogens

scientific article

Organo-Zintl Clusters [P7R4]: A New Class of Superalkalis

scientific article

Oxidation-Induced Differentially Selective Turn-On Fluorescence via Photoinduced Electron Transfer Based on a Ferrocene-Appended Coumarin-Quinoline Platform: Application in Cascaded Molecular Logic

scientific article published on 11 March 2020

Pd(II)–N-heterocyclic carbene complexes of 2,6-bis{N-methyl-(imidazolium/benzimidazolium)}pyrazinechloride: Synthesis, structure, catalysis and theoretical studies

PhSeBr mediated hydroxylative oxidative dearomatization of naphthols – an open air facile one-pot synthesis of ketols

scholarly article in RSC Advances, vol. 6 no. 32, 2016

Possibility of Having HF-Doped Hydrogen Hydrates

Potential use of some metal clusters as hydrogen storage materials—a conceptual DFT approach

scientific article published on 16 June 2010

Pressure-induced magnetic crossover driven by hydrogen bonding in CuF₂(H₂O)₂(3-chloropyridine).

scientific article

Pyrazine functionalized Ag(I) and Au(I)-NHC complexes are potential antibacterial agents.

scientific article published in January 2012

Pyridine and pyrimidine functionalized half-sandwich Ru(II)-N heterocyclic carbene complexes: Synthesis, structures, spectra, electrochemistry and biological studies

Quantum-classical correspondence of a field induced KAM-type transition: A QTM approach

Residue Specific Interaction of an Unfolded Protein with Solvents in Mixed Water-Ethanol Solutions: A Combined Molecular Dynamics and ONIOM Study

scientific article published on 20 July 2017

Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa

scientific article published on 08 September 2011

Some novel molecular frameworks involving representative elements

scientific article published on 09 July 2012

Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom

scientific article published on 04 October 2007

Structure, bonding, reactivity and aromaticity of some selected Zn-clusters

Super/hyperhalogen aromatic heterocyclic compounds

article

Superalkalis and superhalogens as building blocks of supersalts.

scientific article

Superhalogens as Building Blocks of Super Lewis Acids

scientific article published on 29 May 2019

Superhalogens as building blocks of halogen-free electrolytes in lithium-ion batteries.

scientific article

Synthesis and Structure of a 3D Porous Network Containing Aromatic 1D Chains of Li6Rings: Experimental and Computational Studies

scientific article published on 01 October 2010

Synthesis, structure and electrochemical behaviour of Ru(ii)- and Pt(ii)-carbene complexes of the NCN-pincer 1,3-bis(2-pyridylmethyl)-1H-benzimidazolium chloride

Synthesis, structure and theoretical studies of Hg(II)–NH carbene complex of annulated ligand pyridinyl[1,2-a]{2-pyridylimidazol}-3-ylidene hexaflurophosphate

The mechanism of Menshutkin reaction in gas and solvent phases from the perspective of reaction electronic flux

scientific article published on 19 August 2014

Theoretical investigation of hydrogen adsorption in all-metal aromatic clusters

article

Three-dimensional networks containing rectangular Sr4and Ba4units: Synthesis, structure, bonding, and potential application for Ne gas separation

Toward analyzing some neutral and cationic boron-lithium clusters (BxLiy x = 2-6; y = 1, 2) as effective hydrogen storage materials: A conceptual density functional study

Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds

article

Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach

article

Unusual stability of multiply charged organo-metallic complexes

article

Update 2 of: Electrophilicity Index

scientific article published on 01 February 2011

List of works by Santanab Giri

18-Electron rule inspired Zintl-like ions composed of all transition metals

A Dual-Characteristic Bidentate Ligand for a Ternary Mononuclear Europium(III) Molecular Complex - Synthesis, Photophysical, Electrochemical, and Theoretical Study

A New Class of Superhalogen Based Anion Receptor in Li-Ion Battery Electrolytes

A computational study on the hydrogen adsorption capacity of various lithium-Doped boron hydrides

A conceptual density functional study of structure, bonding, reactivity and the possibility of bond-stretch isomerism in some neutral sulfur clusters, Sn(n=3–8)

A connection between softness and magnetizability

A novel strategy for reversible hydrogen storage in Ca(BH4)2.

Acidity of meta- and para-substituted aromatic acids: a conceptual DFT study

An Atom Counting QSPR Protocol

An Atom Counting QSPR Protocol

An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach

An atom counting and electrophilicity based QSTR approach

Analysis of the structure, bonding, aromaticity and existence of possible bond-stretch isomerism in trigonal anionic metal clusters, X[sub 3][sup −](X = Be,Mg,Ca)

Analyzing the efficiency of M n –(C2H4) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials

Application of activation hardness in perturbed pericyclic reactions: a case study involving electrocyclic ring opening reactions of heterocyclobutenes

Aromatic superhalogens.

Aromaticity and conceptual density functional theory

Aromaticity and hydrogen storage capability of planar and rings

Aromaticity in all-metal annular systems: the counter-ion effect

Arsenic toxicity: an atom counting and electrophilicity-based protocol

Atom-Economical Palladium Carbon-Catalyzed de Novo Synthesis of Trisubstituted Nicotinonitriles

Bonding, aromaticity, and structure of trigonal dianion metal clusters

Can Starlike C6Li6 be Treated as a Potential H2 Storage Material?

Catalyst electronic polarizability and enantiomeric excess in asymmetric hydrogenation

Cationic Organic Nanoaggregates as AIE Luminogens for Wash-Free Imaging of Bacteria and Broad-Spectrum Antimicrobial Application

Charge-based DFT descriptors for Diels-Alder reactions

Comment on "Ruling out any electrophilicity equalization principle".

Controlled Energy Transfer from a Ligand to an EuIII Ion: A Unique Strategy To Obtain Bright-White-Light Emission and Its Versatile Applications.

Correction to Oxidation-Induced Differentially Selective Turn-On Fluorescence via Photoinduced Electron Transfer Based on a Ferrocene-Appended Coumarin-Quinoline Platform: Application in Cascaded Molecular Logic

Corrigendum: Aromatic Superhalogens

Deltahedral Organo-Zintl Superhalogens

Designing aromatic heterocyclic superacids in terms of Brønsted and Lewis perspectives

Dirichlet Boundary Conditions and Effect of Confinement on Chemical Reactivity

Electrophilicity Equalization Principle

Electrophilicity index within a conceptual DFT framework

Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations

Insights into the Mechanism of Ground and Excited State Double Proton Transfer Reaction in Formic Acid Dimer.

Insights into the Mechanism of an SN2 Reaction from the Reaction Force and the Reaction Electronic Flux

Investigation of hydrogen induced fluorescence in C60 and its potential use in luminescence down shifting applications

Methane hydrates and their HF doped analogues

Modeling Ecotoxicity as Applied to some Selected Aromatic Compounds

Negative influence of pKa on activation energy barrier: A case study for double proton transfer reaction in inorganic acid dimers

Net Electrophilicity

Net reactivity index (Δω R±)

Organic heterocyclic molecules become superalkalis

Organic superhalogens

Organo-Zintl Clusters [P7R4]: A New Class of Superalkalis

Oxidation-Induced Differentially Selective Turn-On Fluorescence via Photoinduced Electron Transfer Based on a Ferrocene-Appended Coumarin-Quinoline Platform: Application in Cascaded Molecular Logic

Pd(II)–N-heterocyclic carbene complexes of 2,6-bis{N-methyl-(imidazolium/benzimidazolium)}pyrazinechloride: Synthesis, structure, catalysis and theoretical studies

PhSeBr mediated hydroxylative oxidative dearomatization of naphthols – an open air facile one-pot synthesis of ketols

Possibility of Having HF-Doped Hydrogen Hydrates

Potential use of some metal clusters as hydrogen storage materials—a conceptual DFT approach

Pressure-induced magnetic crossover driven by hydrogen bonding in CuF₂(H₂O)₂(3-chloropyridine).

Pyrazine functionalized Ag(I) and Au(I)-NHC complexes are potential antibacterial agents.

Pyridine and pyrimidine functionalized half-sandwich Ru(II)-N heterocyclic carbene complexes: Synthesis, structures, spectra, electrochemistry and biological studies

Quantum-classical correspondence of a field induced KAM-type transition: A QTM approach

Residue Specific Interaction of an Unfolded Protein with Solvents in Mixed Water-Ethanol Solutions: A Combined Molecular Dynamics and ONIOM Study

Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa

Some novel molecular frameworks involving representative elements

Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom

Structure, bonding, reactivity and aromaticity of some selected Zn-clusters

Super/hyperhalogen aromatic heterocyclic compounds

Superalkalis and superhalogens as building blocks of supersalts.

Superhalogens as Building Blocks of Super Lewis Acids

Superhalogens as building blocks of halogen-free electrolytes in lithium-ion batteries.

Synthesis and Structure of a 3D Porous Network Containing Aromatic 1D Chains of Li6Rings: Experimental and Computational Studies

Synthesis, structure and electrochemical behaviour of Ru(ii)- and Pt(ii)-carbene complexes of the NCN-pincer 1,3-bis(2-pyridylmethyl)-1H-benzimidazolium chloride

Synthesis, structure and theoretical studies of Hg(II)–NH carbene complex of annulated ligand pyridinyl[1,2-a]{2-pyridylimidazol}-3-ylidene hexaflurophosphate

The mechanism of Menshutkin reaction in gas and solvent phases from the perspective of reaction electronic flux

Theoretical investigation of hydrogen adsorption in all-metal aromatic clusters

Three-dimensional networks containing rectangular Sr4and Ba4units: Synthesis, structure, bonding, and potential application for Ne gas separation

Toward analyzing some neutral and cationic boron-lithium clusters (BxLiy x = 2-6; y = 1, 2) as effective hydrogen storage materials: A conceptual density functional study

Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds

Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach

Unusual stability of multiply charged organo-metallic complexes

Update 2 of: Electrophilicity Index

Variation in aromaticity and bonding patterns in a reaction cycle involving and dianions