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Theoretical investigation on the non-covalent interactions of acetaminophen complex in different solvents: study of the enhancing effect of the cation–π interaction on the intramolecular hydrogen bond

Theoretical chemistry accounts, 2020-08, Vol.139 (8), Article 141

2020

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DFT calculation of the interplay effects between cation–π and intramolecular hydrogen bond interactions of mesalazine drug with selected transition metal ions (Mn+, Fe2+, Co+, Ni2+, Cu+, Zn2+)

Theoretical chemistry accounts, 2021-08, Vol.140 (8), Article 104

2021

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Effect of Ge-doping on the adsorption of anions (F−, Cl−, Br−) onto the outer surface of boron nitride nanotube: a DFT study

Theoretical chemistry accounts, 2023-12, Vol.142 (12), Article 130

2023

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Zigzag boron nitride nanotube functionalization as a sensor for the recognition of group IIA (Mg2+, Ca2+) metal ions, quasi-metal (Si2+, Ge2+) ions, and transition metal (Cu2+, Zn2+) ions: a computational study

Journal of molecular modeling, 2024-06, Vol.30 (6), p.174-174, Article 174

2024

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Electronic sensors for alkali and alkaline earth cations based on Fullerene-C60 and silicon doped on C60 nanocages: a computational study

Journal of molecular modeling, 2022-06, Vol.28 (6), p.148-148, Article 148

2022

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A DFT theoretical investigation on the interplay effects between cation-π and intramolecular hydrogen bond interactions in the mesalazine⋯Fe2+ binary complex

Theoretical chemistry accounts, 2022, Vol.141 (8), Article 38

2022

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A computational study on acetaminophen drug complexed with Mn+, Fe2+, Co+, Ni2+, and Cu+ ions: structural analysis, electronic properties, and solvent effects

Journal of molecular modeling, 2022-10, Vol.28 (10), p.302-302, Article 302

2022

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Theoretical Study of Stability and Electronic Characteristics in Various Complexes of Psoralen as an Anticancer Drug in Gas Phase, Water and CCl4 Solutions

Chemical research in Chinese universities, 2022-12, Vol.38 (6), p.1414-1424

2022

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A comparative study of interplay effects between the cation-π and intramolecular hydrogen bond interactions in the various complexes of methyl salicylate with Mn+, Fe2+, Co+, Ni2+, Cu+, and Zn2+ cations

Structural chemistry, 2021-08, Vol.32 (4), p.1529-1539

2021

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DFT calculations, structural analysis, solvent effects, and non-covalent interaction study on the para-aminosalicylic acid complex as a tuberculosis drug: AIM, NBO, and NMR analyses

Journal of molecular modeling, 2022-10, Vol.28 (10), p.297-297, Article 297

2022

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Molecular structure, QTAIM and bonding character of cation–π interactions of mono- and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+ and Ca2+) with drug of acetaminophen

Theoretical chemistry accounts, 2019-08, Vol.138 (8), p.1-9, Article 101

2019

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Computational study of noncovalent interactions within the various complexes of para aminosalicylic acid and Cr2+, Mn+, Fe2+, Co+, Ni2+, Cu+, Zn2+ cations: exploration of the enhancing effect of the cation–π interaction on the intramolecular hydrogen bond

Theoretical chemistry accounts, 2020-12, Vol.139 (12), Article 180

2020

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Theoretical study on the interaction of phenylalaninal with group IA (Li+, Na+, K+) and IIA (Be2+, Mg2+, Ca2+) metal cations

Journal of the Chinese Chemical Society (Taipei), 2021-06, Vol.68 (6), p.1002-1012

2021

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The effect of cation–π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study

Acta crystallographica. Section C, Crystal structure communications, 2020-10, Vol.76 (10), p.982-991

2020

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Density functional theory study of the interplay between cation–π and intramolecular hydrogen bonding interactions in complexes involving methyl salicylate with Li+, Na+, K+, Be2+, Mg2+, Ca2+ cations

Computational and theoretical chemistry, 2021-04, Vol.1198, p.113172, Article 113172

2021

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THEORETICAL STUDY OF VARIOUS SOLVENTS EFFECT ON 5-FLUOROURACIL-VITAMIN B3 COMPLEX USING PCM METHOD

Journal of the Chilean Chemical Society, 2019-03, Vol.64 (1), p.4337-4344

2019

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Structural analysis and electronic properties of transition metal ions (Ni2+, Fe2+, Mn+ and Co+) with psoralen biomolecule as an anticancer drug

Journal of organometallic chemistry, 2023-02, Vol.986, p.122606, Article 122606

2023

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Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach

Structural chemistry, 2016-04, Vol.27 (2), p.487-504

2016

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Molecular structure and bonding character of mono and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+, and Ca2+) with substituted benzene derivatives: AIM, NBO, and NMR analyses

Structural chemistry, 2014-10, Vol.25 (5), p.1327-1342

2014

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Ab initio and DFT studies on 1-(thionitrosomethylene) hydrazine: conformers, energies, and intramolecular hydrogen-bond strength

Structural chemistry, 2013-08, Vol.24 (4), p.1121-1133

2013

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PVC Coated with an Indole Derivative-Loaded Triton X-100: a New Sorbent for Cu, Zn and Mn Ions

Arabian Journal for Science and Engineering, 2011, Vol.36 (1), p.47-56

2011

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Determination of Some Heavy Metals in Real Samples by FAAS after Preconcentration on 4-Nitro-2-(2-nitro-phenelazo)phenol Modified Activated Carbon

Chemical science transactions, 2012-08, Vol.1 (3), p.530-537

2012

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Investigating the Effects of Dry Needling on Hamstring Muscles Flexibility: A Randomized Controlled Tria

Journal of modern rehabilitation (Online), 2023-07, Vol.17 (4)

2023

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Investigating the Effects of Dry Needling on Hamstring Muscles Flexibility: A Randomized Controlled Trial

Journal of modern rehabilitation (Online), 2023-10

2023

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Larger amplitude spinal mobilization is more effective to decrease pain systematically: A clinical trial using pressure pain thresholds in chronic low back pain participants

Journal of bodywork and movement therapies, 2021-01, Vol.25, p.16-23

2021

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Theoretical investigation on the non-covalent interactions of acetaminophen complex in different solvents: study of the enhancing effect of the cation–π interaction on the intramolecular hydrogen bond

DFT calculation of the interplay effects between cation–π and intramolecular hydrogen bond interactions of mesalazine drug with selected transition metal ions (Mn+, Fe2+, Co+, Ni2+, Cu+, Zn2+)

Effect of Ge-doping on the adsorption of anions (F−, Cl−, Br−) onto the outer surface of boron nitride nanotube: a DFT study

Zigzag boron nitride nanotube functionalization as a sensor for the recognition of group IIA (Mg2+, Ca2+) metal ions, quasi-metal (Si2+, Ge2+) ions, and transition metal (Cu2+, Zn2+) ions: a computational study

Electronic sensors for alkali and alkaline earth cations based on Fullerene-C60 and silicon doped on C60 nanocages: a computational study

A DFT theoretical investigation on the interplay effects between cation-π and intramolecular hydrogen bond interactions in the mesalazine⋯Fe2+ binary complex

A computational study on acetaminophen drug complexed with Mn+, Fe2+, Co+, Ni2+, and Cu+ ions: structural analysis, electronic properties, and solvent effects

Theoretical Study of Stability and Electronic Characteristics in Various Complexes of Psoralen as an Anticancer Drug in Gas Phase, Water and CCl4 Solutions

A comparative study of interplay effects between the cation-π and intramolecular hydrogen bond interactions in the various complexes of methyl salicylate with Mn+, Fe2+, Co+, Ni2+, Cu+, and Zn2+ cations

DFT calculations, structural analysis, solvent effects, and non-covalent interaction study on the para-aminosalicylic acid complex as a tuberculosis drug: AIM, NBO, and NMR analyses

Molecular structure, QTAIM and bonding character of cation–π interactions of mono- and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+ and Ca2+) with drug of acetaminophen

Computational study of noncovalent interactions within the various complexes of para aminosalicylic acid and Cr2+, Mn+, Fe2+, Co+, Ni2+, Cu+, Zn2+ cations: exploration of the enhancing effect of the cation–π interaction on the intramolecular hydrogen bond

Theoretical study on the interaction of phenylalaninal with group IA (Li+, Na+, K+) and IIA (Be2+, Mg2+, Ca2+) metal cations

The effect of cation–π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study

Density functional theory study of the interplay between cation–π and intramolecular hydrogen bonding interactions in complexes involving methyl salicylate with Li+, Na+, K+, Be2+, Mg2+, Ca2+ cations

THEORETICAL STUDY OF VARIOUS SOLVENTS EFFECT ON 5-FLUOROURACIL-VITAMIN B3 COMPLEX USING PCM METHOD

Structural analysis and electronic properties of transition metal ions (Ni2+, Fe2+, Mn+ and Co+) with psoralen biomolecule as an anticancer drug

Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach

Molecular structure and bonding character of mono and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+, and Ca2+) with substituted benzene derivatives: AIM, NBO, and NMR analyses

Ab initio and DFT studies on 1-(thionitrosomethylene) hydrazine: conformers, energies, and intramolecular hydrogen-bond strength

PVC Coated with an Indole Derivative-Loaded Triton X-100: a New Sorbent for Cu, Zn and Mn Ions

Determination of Some Heavy Metals in Real Samples by FAAS after Preconcentration on 4-Nitro-2-(2-nitro-phenelazo)phenol Modified Activated Carbon

Investigating the Effects of Dry Needling on Hamstring Muscles Flexibility: A Randomized Controlled Tria

Investigating the Effects of Dry Needling on Hamstring Muscles Flexibility: A Randomized Controlled Trial

Larger amplitude spinal mobilization is more effective to decrease pain systematically: A clinical trial using pressure pain thresholds in chronic low back pain participants

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