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Epoxides of DADNE Isomers - A DFT Study Journal title: Earthline Journal of Chemical Sciences Authors: Lemi Türker Subject(s):
Calculation of Rotational Barriers of 4-Acyloxy-4’-N-N-Butylcarbamyloxy-Biphenyls by Molecular Calculation and Linear Free Energy Relationships Journal title: Biomedical Journal of Scientific & Technical Research (BJSTR) Authors: Shu-Hsien Lin, Yu-Fang Shen, Chun-Yu Chiou, Gialih Lin, Gan-Hong Chen Subject(s):
A quantum chemical analysis of dependence of the protolytic properties of silica primary particles on their composition and spatial structure Journal title: Поверхня Authors: A. A. Kravchenko, E. M. Demianenko, O. V. Filonenko, A. G. Grebenyuk,, V. V. Lobanov, M. I. Terets Subject(s):
Density Functional Theory Study of Structural and Electronic Properties of Group V Transition Metal Carbides Journal title: Journal of Nuclear Physics, Material Sciences, Radiation and Applications Authors: Jameson Maibam, Kh. Kabita, B. Indrajit Sharma, Dineshchandra Haobijam, R.K. Brojen Subject(s): Materials Science, Nuclear Physics, Radiation
VIRTUAL SCREENING OF HETEROCYCLIC COMPOUNDS AGAINST ANGIOTENSIN-CONVERTING ENZYME FOR POTENTIAL ANTIHYPERTENSIVE INHIBITORS Journal title: Asian Journal of Pharamceutical and Clinical Research Authors: ZOZIMUS DIVYA LOBO C, SYED MOHAMED A, GNANENDRA SHANMUGAM Subject(s):
SYNTHESIS, ANTIMICROBIAL EVALUATION, DENSITY FUNCTIONAL THEORY, AND DOCKING STUDIES OF SOME NEW 2-MERCAPTO PYRIMIDINE SCHIFF BASES Journal title: Asian Journal of Pharamceutical and Clinical Research Authors: SAHAR B. AL-JUBOORI, AMMAR A. RAZZAK MAHMOOD Subject(s):
Density Functional Study on Benzene, Toluene, Ethylbenzene and Xylene Adsorptions on ZnO(100) Surface Journal title: Molekul Authors: Nugraha Nugraha, Adhitya Gandaryus Saputro, Mohammad Kemal Agusta, Fiki Taufik Akbar, Aditya Dimas P... Subject(s):
Lithium–functionalization of Pyrrole–n–carboxylic Acids (n=1, 2, 3) Journal title: Chemical Methodologies Authors: Nahid Ghasemi, Mahmoud Mirzaei Subject(s):
In Silico Study of Metoclopramide as A Small Molecule of Dopamine D2 Receptor: a Quantum-Mechanical (QM) Based Molecular Docking Treatment Journal title: Chemical Methodologies Authors: Mehdi Nabati, Elaheh Lohrasbi, Hamideh Sabahnoo, Vida Bodaghi-Namileh, Mohammad Mazidi, Hossein Moha... Subject(s):
Adsorption of Tetryl on the Surface of B12N12: A Comprehensive DFT Study Journal title: Chemical Methodologies Authors: Mohammad Reza Jalali Sarvestani, Roya Ahmadi Subject(s):
Evaluating Adsorption of Proline Amino Acid on the Surface of Fullerene (C60) and Carbon Nanocone by Density Functional Theory Journal title: Chemical Methodologies Authors: Roya Ahmadi, Mohammad Reza Jalali Sarvestani, Razieh Taghavizad, Naser Rahim Subject(s):
STUDY ON HYDROGENATED CARBON ATOM CHAINS WITH NEGATIVE DIFFERENTIAL RESISTANCE EFFECT. Journal title: International Journal of Advanced Research (IJAR) Authors: Ji-Mei Shen, Jing Liu and Li-Ping Zhou. Subject(s):
A COMPUTATIONAL STUDY ON MOLECULAR GEOMETRIES, CHEMISTRY REACTIVITY DESCRIPTORS OF TTP DERIVATIVES Journal title: WORLD JOURNAL PHARMACY AND PHARMACEUTICAL SCIENCE Authors: Dr. Tahar Abbaz Subject(s):
PENGGUNAAN ZAT WARNA ORGANIK UNTUK MENINGKATKAN PERFORMA PERALATAN SOLAR CELL MENGGUNAKAN METODA DENSITY FUNCTIONAL THEORY (DFT) Journal title: Lantanida Journal Authors: Imelda Imelda Subject(s):
