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journal of molecular modeling

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scopus ncbi ulakbim
Short Name j mol model
Abbreviated Name journal of molecular modeling
ISSN 0948-5023
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Publications Per Year

Recent Articles (27 total)

2019
Computational study of metal complexes formed with EDTA, melatonin, and its main metabolites: implications in lead intoxication and clues to a plausible alternative treatment.
Díaz-Cervantes, Erik;García-Revilla, Marco A;Soto-Arredondo, Karla;Villaseñor-Granados, Tayde;Martínez-Alfaro, Minerva;Robles, Juvencio;
Vol. 25 , No. 1 , pp. 18
388 views DOI Abstract
2019
Quantum-chemical studies of homoleptic iridium(III) complexes in OLEDs: fac versus mer isomers
Grzelak I.
Vol. 25 , pp. 0-0
332 views DOI
2019
Organometallic complexes of carbon nanotori.
Del Castillo, Roxana M;Miralrio, Alan;Rios, Citlalli;Salcedo, Roberto;
Vol. 25 , No. 8 , pp. 239
330 views DOI Abstract
2020
Glyphosate adsorption on C fullerene in aqueous medium for water reservoir depollution.
Lima, J D M;Gomes, D S;Frazão, N F;Soares, D J B;Sarmento, R G;
Vol. 26 , No. 5 , pp. 110
320 views DOI Abstract
2019
Theoretical investigation of the structure, detonation properties, and stability of bicyclo[3.2.1]octane derivatives.
Du, Mingran;Han, Tifei;Liu, Feng;Wu, Hongbo;
Vol. 25 , No. 8 , pp. 253
305 views DOI Abstract
2019
Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysis.
Rocha, Marcus V J;Vilhena, Felipe S;Signorelli, Matheus R M;de M Carneiro, José W;Ramalho, Teodorico C;Costa, Luciano T;
Vol. 25 , No. 9 , pp. 279
285 views DOI Abstract
2020
Comparative cation sensing properties of a newly designed urea linked ferrocene-benzimidazole dyad: a DFT study.
Sarikavak, Kübra;Kurtay, Gülbin;Sevin, Fatma;
Vol. 26 , No. 3 , pp. 50
281 views DOI Abstract
2020
Understanding the anticorrosive mechanism of a cross-linked supramolecular polymer for mild steel in the condensate water: comprehensive experimental, molecular docking, and molecular dynamics investigations.
Ma, Yucong;Zhou, Tingting;Zhu, Wenqin;Fan, Baomin;Liu, Hao;Fan, Guifeng;Hao, Hua;Sun, Hui;Yang, Biao;
Vol. 26 , No. 4 , pp. 81
263 views DOI Abstract
2019
A model of atomic compressibility and its application in QSAR domain for toxicological property prediction.
Tandon, Hiteshi;Chakraborty, Tanmoy;Suhag, Vandana;
Vol. 25 , No. 10 , pp. 303
261 views DOI Abstract
2014
Quantum chemical studies on three novel 1,2,4-triazole N-oxides as potential insensitive high explosives
Wu, Q.
Vol. 20 , pp. 1-9
260 views DOI
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