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Effect of water molecule in the structure, stability, and electronic properties of sulfur trioxide clusters: a computational analysis

Monatshefte für Chemie, 2022-04, Vol.153 (4), p.347-357

2022

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A computational study on the complexation of bisbenzimidazolyl derivatives with cucurbituril and cyclohexylcucurbituril

Journal of inclusion phenomena and macrocyclic chemistry, 2021-08, Vol.100 (3-4), p.217-231

2021

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A theoretical exploration of the intermolecular interactions between resveratrol and water: a DFT and AIM analysis

Journal of molecular modeling, 2019-03, Vol.25 (3), p.56-11, Article 56

2019

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Optical limiting behavior, nonlinear optical studies, geometrical descriptors, chemical properties data, topology analysis on tetraethylammonium L-tartarate dihydrate crystals

Molecular Crystals and Liquid Crystals, 2022-04, Vol.737 (1), p.104-122

2022

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Deciphering the nature of interactions in nandrolone/testosterone encapsulated cucurbituril complexes: a computational study

Journal of inclusion phenomena and macrocyclic chemistry, 2019-04, Vol.93 (3-4), p.183-192

2019

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Synthesis of chalcones with anticancer activities

Molecules (Basel, Switzerland), 2012-05, Vol.17 (6), p.6179-6195

2012

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Unveiling the gemcitabine drug complexation with cucurbit[n]urils (n = 6–8): a computational analysis

Structural chemistry, 2023-10, Vol.34 (5), p.1869-1882

2023

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Encapsulation of sulfur, oxygen, and nitrogen mustards by cucurbiturils: a DFT study

Journal of inclusion phenomena and macrocyclic chemistry, 2015-12, Vol.83 (3-4), p.387-400

2015

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Molecular insights into the complex formation between dodecamethylcucurbit[6]uril and phenylenediamine isomers

Journal of inclusion phenomena and macrocyclic chemistry, 2022-08, Vol.102 (7-8), p.637-651

2022

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Unveiling the Intermolecular Interactions between Drug 5‑Fluorouracil and Watson–Crick/Hoogsteen Base Pairs: A Computational Analysis

ACS omega, 2024-06, Vol.9 (23), p.24831-24844

2024

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Trapping of organophosphorus chemical nerve agents by pillar[5]arene: A DFT, AIM, NCI and EDA analysis

Journal of inclusion phenomena and macrocyclic chemistry, 2017-02, Vol.87 (1-2), p.207-218

2017

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Unravelling the molecular mechanistic pathway underlying the anticancer effects of kaempferol in colorectal cancer: a reverse pharmacology network approach

Molecular diversity, 2024-05

2024

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Unraveling the binding nature of hexane with quinone functionalized pillar[5]quinone: a computational study

Journal of inclusion phenomena and macrocyclic chemistry, 2019-12, Vol.95 (3-4), p.307-319

2019

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The growth suppressing effects of girinimbine on HepG2 involve induction of apoptosis and cell cycle arrest

Molecules (Basel, Switzerland), 2011-08, Vol.16 (8), p.7155-7170

2011

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Piperine Encapsulation within Cucurbit[n]uril (n=6,7): A Combined Experimental and Density Functional Study

ChemistrySelect (Weinheim), 2018-02, Vol.3 (6), p.1933-1941

2018

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Structure, electronic, inclusion complex formation behavior and spectral properties of pillarplex

Journal of inclusion phenomena and macrocyclic chemistry, 2017-06, Vol.88 (1-2), p.53-67

2017

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Loading of a Phenanthroline-Based Platinum(II) Complex onto the Surface of a Carbon Nanotube via π–π Stacking

Australian journal of chemistry, 2016, Vol.69 (10), p.1124

2016

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Theoretical insights into the formation, structure, and electronic properties of anticancer oxaliplatin drug and cucurbit[n]urils n = 5 to 8

Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2010-04, Vol.66 (3-4), p.213-218

2010

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DFT calculations on polarizabilities and hyperpolarizabilities for the neutral and anionic yttrium oxide clusters

Journal of theoretical & computational chemistry, 2015-11, Vol.14 (7), p.1550049

2015

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Effect of water molecule in the structure, stability, and electronic properties of sulfur trioxide clusters: a computational analysis

A computational study on the complexation of bisbenzimidazolyl derivatives with cucurbituril and cyclohexylcucurbituril

A theoretical exploration of the intermolecular interactions between resveratrol and water: a DFT and AIM analysis

Optical limiting behavior, nonlinear optical studies, geometrical descriptors, chemical properties data, topology analysis on tetraethylammonium L-tartarate dihydrate crystals

Deciphering the nature of interactions in nandrolone/testosterone encapsulated cucurbituril complexes: a computational study

Synthesis of chalcones with anticancer activities

Unveiling the gemcitabine drug complexation with cucurbit[n]urils (n = 6–8): a computational analysis

Encapsulation of sulfur, oxygen, and nitrogen mustards by cucurbiturils: a DFT study

Molecular insights into the complex formation between dodecamethylcucurbit[6]uril and phenylenediamine isomers

Unveiling the Intermolecular Interactions between Drug 5‑Fluorouracil and Watson–Crick/Hoogsteen Base Pairs: A Computational Analysis

Trapping of organophosphorus chemical nerve agents by pillar[5]arene: A DFT, AIM, NCI and EDA analysis

Unravelling the molecular mechanistic pathway underlying the anticancer effects of kaempferol in colorectal cancer: a reverse pharmacology network approach

Unraveling the binding nature of hexane with quinone functionalized pillar[5]quinone: a computational study

The growth suppressing effects of girinimbine on HepG2 involve induction of apoptosis and cell cycle arrest

Piperine Encapsulation within Cucurbit[n]uril (n=6,7): A Combined Experimental and Density Functional Study

Structure, electronic, inclusion complex formation behavior and spectral properties of pillarplex

Loading of a Phenanthroline-Based Platinum(II) Complex onto the Surface of a Carbon Nanotube via π–π Stacking

Theoretical insights into the formation, structure, and electronic properties of anticancer oxaliplatin drug and cucurbit[n]urils n = 5 to 8

DFT calculations on polarizabilities and hyperpolarizabilities for the neutral and anionic yttrium oxide clusters

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