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Synthesis, crystal structure, DFT/HF, Hirshfeld surface, and molecular docking analysis of 4-(tert-butyl)-4-nitro-1,1-biphenyl

Neha Kumari, Ruchika Sharma, Archana Akaram Yadav, Sandeep Ashok Sankpal, Jayakumar Mohan Raj, Saminathan Murugavel, Rajni Kant

90-98

DOI: https://doi.org/10.5155/eurjchem.14.1.90-98.2386

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Comparative assessment of some benzodiazepine drugs based on Density Functional Theory, molecular docking, and ADMET studies

Monir Uzzaman, Amrin Ahsan, Mohammad Nasir Uddin

412-418

DOI: https://doi.org/10.5155/eurjchem.12.4.412-418.2135

Abstract views 1111 times |

Article PDF downloaded 475 times

A hydroxypropiophenone-based fluorescent probe for the selective determination of Al(III) ions in aqueous ethanol

Chandni Singh, Divya Pratap Singh, Sunil Kumar Singh, Romi Dwivedi, Ashish Kumar Singh, Vinod Prasad Singh

99-108

DOI: https://doi.org/10.5155/eurjchem.14.1.99-108.2360

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X-ray diffraction and Density Functional Theory based structural analyses of 2-phenyl-4-(prop-2-yn-1-yl)-1,2,4-triazolone

Shilpa Mallappa Somagond, Ahmedraza Mavazzan, Suresh Fakkirappa Madar, Madivalagouda Sannaikar, Shankar Madan Kumar, Sanjeev Ramchandra Inamdar, Aravind Raviraj Nesaragi, Jagadeesh Prasad Dasappa, Ravindra Ramappa Kamble

459-468

DOI: https://doi.org/10.5155/eurjchem.12.4.459-468.2160

Abstract views 855 times |

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Computational approach for predicting the adsorption properties and inhibition of some antiretroviral drugs on copper corrosion in HNO3

Mougo André Tigori, Amadou Kouyaté, Victorien Kouakou, Paulin Marius Niamien, Albert Trokourey

235-244

DOI: https://doi.org/10.5155/eurjchem.11.3.235-244.2011

Abstract views 1383 times |

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Green synthesis of novel pyrazole containing Schiff base derivatives as antibacterial agents on the bases of in-vitro and DFT

Salman Ahmad Khan, Abdullah Mohamed Asiri, Abdulrhim Alabbas Basheike, Kamlesh Sharma

454-458

DOI: https://doi.org/10.5155/eurjchem.4.4.454-458.784

Abstract views 2708 times |

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Geometrical, electronic structure, nonlinear optical and spectroscopic investigations of 4-(phenylthio)phthalonitrile dye sensitizer for solar cells using quantum chemical calculations

Ponnusamy Munusamy Anbarasan, Palanivel Senthil Kumar, Kolandan Vasudevan, Raji Govindan, Annamalai Prakasam, Munusamy Geetha

206-213

DOI: https://doi.org/10.5155/eurjchem.2.2.206-213.269

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Synthesis, crystal structure, Hirshfeld surface analysis, and DFT studies on (2,2’-bipyridine)chlorobis(N,N-bis(thiophen-2-ylmethyl)dithiocarbamato-S,S’)zinc(II) complex

Soundararajan Eswari, Subbiah Thirumaran

91-98

DOI: https://doi.org/10.5155/eurjchem.13.1.91-98.2212

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Theoretical study of the adsorption of BMSF-BENZ drug for osteoporosis disease treatment on Al-doped carbon nanotubes (Al-CNT) as a drug delivery vehicle

Zaid Husham Al-Sawaff, Serap Senturk Dalgic, Fatma Kandemirli

314-322

DOI: https://doi.org/10.5155/eurjchem.12.3.314-322.2143

Abstract views 943 times |

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Synthesis, crystal structure with free radical scavenging activity and theoretical studies of Schiff bases derived from 1-naphthylamine, 2,6-diisopropylaniline, and substituted benzaldehyde

Segun Daniel Oladipo, Tunde Lewis Yusuf, Sizwe Joshua Zamisa, Gideon Femi Tolufashe, Kolawole Ayodapo Olofinsan, Zikhona Tywabi-Ngeva, Nonhlangabezo Mabuba

204-215

DOI: https://doi.org/10.5155/eurjchem.12.2.204-215.2088

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Crystal structure, in silico molecular docking, DFT analysis and ADMET studies of N-(2-methoxy-benzyl)-acetamide

Suganya Murugan, Prasanth Gunasekaran, Jayasudha Nehru, Anaglit Catherine Paul, Necmi Dege, Emine Berrin Cinar, Savaridasson Jose Kavitha, Kasthuri Balasubramani, Kaliyaperumal Thanigaimani, Venkatachalam Rajakannan, Madhukar Hemamalini

440-450

DOI: https://doi.org/10.5155/eurjchem.13.4.440-450.2303

Abstract views 920 times |

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