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| Vol 12, No 3 (2021): September 2021 |
N'-(Pyridin-3-ylmethylene)benzenesulfonohydrazide: Crystal structure, DFT, Hirshfeld surface and in silico anticancer studies |
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Ifeyinwa Stella Ozochukwu, Obinna Chibueze Okpareke, David Chukwuma Izuogu, Akachukwu Ibezim, Oguejiofo Theophilus Ujam, Jonnie Niyi Asegbeloyin |
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| Vol 11, No 2 (2020): June 2020 |
Synthesis, crystal structure, Hirshfeld surface and interaction energies analysis of 5-methyl-1,3-bis(3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione |
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Koffi Senam Etse, Laura Comeron Lamela, Guillermo Zaragoza, Bernard Pirotte |
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| Vol 3, No 3 (2012): September 2012 |
Theoretical free energies of electron transfer, electrochemical properties, electron transfer kinetic and quantitative structural relationships studies of alkynyldihydrofullerene in [X-UT-Y][R-C60–M+] supramolecular complexes |
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Avat Arman Taherpour, Masomeh Tayebi-Suraki, Nosratollah Mahdizadeh |
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| Vol 13, No 3 (2022): September 2022 |
A new hydrazide functionalized Schiff’s base derivative: Insights into crystallography, Hirshfeld surface, and energy framework analysis |
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Vivek Prakash Malviya, Archisman Dutta |
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| Vol 10, No 4 (2019): December 2019 |
Detailed analytical studies of 1,2,4-triazole derivatized quinoline |
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Shilpa Mallappa Somagond, Manjunath Ningappa Wari, Saba Kauser Jaweed Shaikh, Sanjeev Ramchandra Inamdar, Madan Kumar Shankar, Dasappa Jagadeesh Prasad, Ravindra Ramappa Kamble |
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| Vol 13, No 1 (2022): March 2022 |
Theoretical study of a single-walled carbon nanotube and a cellulose biofiber as 5-fluorouracil anti-cancer drug carriers |
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Eshraq Ahmed Abdullah |
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| Vol 13, No 2 (2022): June 2022 |
Describing auxin solid state intermolecular interactions using contact descriptors, shape property and molecular fingerprint: comparison of pure auxin crystal and auxin-TIR1 co-crystal |
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Kodjo Djidjole Etse, Koffi Senam Etse, Marie-Luce Akossiwoa Quashie |
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