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Computational Analysis of Molnupiravir

International journal of molecular sciences, 2022-01, Vol.23 (3), p.1508

2022

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A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins

International journal of molecular sciences, 2023-02, Vol.24 (5), p.4660

2023

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Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide

Molecules (Basel, Switzerland), 2020-09, Vol.25 (18), p.4056

2020

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Stepwise crystallographic visualization of dynamic guest binding in a nanoporous framework

Chemical science (Cambridge), 2017-04, Vol.8 (4), p.3171-3177

2017

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A Family of Ethyl N-Salicylideneglycinate Dyes Stabilized by Intramolecular Hydrogen Bonding: Photophysical Properties and Computational Study

Molecules (Basel, Switzerland), 2021-05, Vol.26 (11), p.3112

2021

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Copper(II) Chelates of Schiff Bases Enriched with Aliphatic Fragments: Synthesis, Crystal Structure, In Silico Studies of ADMET Properties and a Potency against a Series of SARS-CoV-2 Proteins

Pharmaceuticals (Basel, Switzerland), 2023-02, Vol.16 (2), p.286

2023

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The renaissance of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) coordination chemistry

Dalton transactions : an international journal of inorganic chemistry, 2015-01, Vol.44 (47), p.2287-2294

2015

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Ratiometric sensing of lysine through the formation of the pyrene excimer: experimental and computational studies

Chemical communications (Cambridge, England), 2015-05, Vol.51 (40), p.8536-8539

2015

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Hidden Transformations of a Crystalline Sponge: Elucidating the Stability of a Highly Porous Three-Dimensional Metal–Organic Framework

Crystal growth & design, 2016-07, Vol.16 (7), p.4043-4050

2016

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Confinement effects of a crystalline sponge on ferrocene and ferrocene carboxaldehyde

Chemical communications (Cambridge, England), 2017, Vol.53 (41), p.5645-5648

2017

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Correction: Sharov et al. Computational Analysis of Molnupiravir. Int. J. Mol. Sci. 2022, 23 , 1508

International journal of molecular sciences, 2022-10, Vol.23 (21), p.13026

2022

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Solid Aluminum Borohydrides for Prospective Hydrogen Storage

ChemSusChem, 2017-12, Vol.10 (23), p.4725-4734

2017

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Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations

International journal of molecular sciences, 2021-05, Vol.22 (10), p.5337

2021

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Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives

CrystEngComm, 2014-01, Vol.16 (37), p.8786-8793

2014

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Crown ether-containing Schiff base as a highly efficient "turn-on" fluorescent sensor for determination and separation of Zn2+ in water

Dalton transactions : an international journal of inorganic chemistry, 2013-02, Vol.42 (6), p.1969-1972

2013

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Correction: Mahmoudi et al. Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations. Int. J. Mol. Sci. 2021, 22, 5337

International journal of molecular sciences, 2022-11, Vol.23 (21), p.13410

2022

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Quaternary Selenides EuLnCuSe3: Synthesis, Structures, Properties and In Silico Studies

International journal of molecular sciences, 2022-01, Vol.23 (3), p.1503

2022

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A Challenge toward Novel Quaternary Sulfides SrLnCuS3 (Ln = La, Nd, Tm): Unraveling Synthetic Pathways, Structures and Properties

International journal of molecular sciences, 2022-10, Vol.23 (20), p.12438

2022

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1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties

CrystEngComm, 2016-01, Vol.18 (38), p.7284-7296

2016

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A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins

Journal of chemical sciences (Bangalore, India), 2023-01, Vol.135 (1), p.6-6, Article 6

2023

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Influence of the coordination mode in [Ni{RC(S)NP(S)(OiPr)2}2] for the formation of nickel-containing nanoparticles

Dalton transactions : an international journal of inorganic chemistry, 2012-02, Vol.41 (8), p.2234-2236

2012

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Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions

IUCrJ, 2021-05, Vol.8 (3), p.351-361

2021

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α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal structures, Hirshfeld surface analysis, computational studies and in silico molecular docking with the SARS-CoV-2 proteins

Tetrahedron, 2021-09, Vol.97, p.132376-132376, Article 132376

2021

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Computational studies of closely related 2-cyanopyrimidine, pyrimidine-2-carboximidamide and 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine with a potency against SARS-CoV-2

Monatshefte für Chemie, 2024, Vol.155 (1), p.57-71

2024

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A metal–organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand

CrystEngComm, 2012-01, Vol.14 (23), p.8153-8155

2012

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Computational Analysis of Molnupiravir

A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins

Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide

Stepwise crystallographic visualization of dynamic guest binding in a nanoporous framework

A Family of Ethyl N-Salicylideneglycinate Dyes Stabilized by Intramolecular Hydrogen Bonding: Photophysical Properties and Computational Study

Copper(II) Chelates of Schiff Bases Enriched with Aliphatic Fragments: Synthesis, Crystal Structure, In Silico Studies of ADMET Properties and a Potency against a Series of SARS-CoV-2 Proteins

The renaissance of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) coordination chemistry

Ratiometric sensing of lysine through the formation of the pyrene excimer: experimental and computational studies

Hidden Transformations of a Crystalline Sponge: Elucidating the Stability of a Highly Porous Three-Dimensional Metal–Organic Framework

Confinement effects of a crystalline sponge on ferrocene and ferrocene carboxaldehyde

Correction: Sharov et al. Computational Analysis of Molnupiravir. Int. J. Mol. Sci. 2022, 23 , 1508

Solid Aluminum Borohydrides for Prospective Hydrogen Storage

Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations

Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives

Crown ether-containing Schiff base as a highly efficient "turn-on" fluorescent sensor for determination and separation of Zn2+ in water

Correction: Mahmoudi et al. Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations. Int. J. Mol. Sci. 2021, 22, 5337

Quaternary Selenides EuLnCuSe3: Synthesis, Structures, Properties and In Silico Studies

A Challenge toward Novel Quaternary Sulfides SrLnCuS3 (Ln = La, Nd, Tm): Unraveling Synthetic Pathways, Structures and Properties

1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties

A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins

Influence of the coordination mode in [Ni{RC(S)NP(S)(OiPr)2}2] for the formation of nickel-containing nanoparticles

Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions

α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal structures, Hirshfeld surface analysis, computational studies and in silico molecular docking with the SARS-CoV-2 proteins

Computational studies of closely related 2-cyanopyrimidine, pyrimidine-2-carboximidamide and 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine with a potency against SARS-CoV-2

A metal–organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand

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