A Theoretical Study on Structural and Elastic Properties of Ti3Al Journal title: Gazi Mühendislik Bilimleri Dergisi Authors: Subject(s):
Physiochemical, molecular docking, and pharmacokinetic studies of Naproxen and its modified derivatives based on DFT Journal title: International Journal of Scientific Research and Management Authors: Monir Uzzaman, Mohammed Jabedul Hoque Subject(s):
Studi Komputasi Metode Ab Initio Dft Dalam Kajian Struktural Dan Sifat Elektronik Senyawa Kalsium Borohidrid-Diamonia Sebagai Penyimpan Hidrogen Journal title: Eksakta: Jurnal Ilmu-Ilmu MIPA Authors: Subject(s): Chemistry, Applied
Modeling computational studies of modified drug molecules binding to the LRRK2 protein in the treatment of Parkinson’s disease Journal title: Engineering of Biomaterials / Inżynieria Biomateriałów Authors: H. Shah, J. A. Darsey Subject(s):
THEORETICAL STUDIES OF THE ANTIOXIDANT PROPERTIES OF SOME FLAVONOID CLASS OF COMPOUNDS Journal title: International Journal of Pharmacognosy Authors: Amit Kumar Subject(s):
DFT studies of small rare-gas clusters Journal title: PARIPEX-Indian Journal of Research Authors: Koushiki Gupta, Asoke P. Chattopadhyay Subject(s):
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):