DFT calculations on quetiapine hemifumarate as a pharmaceutical compound for the treatment of schizophrenia Journal title: Iranian Chemical Communication Authors: Esmaeil Vessally, Ali Akbar Jafari, Elaheh Ahmadi Subject(s): Chemistry
Energetics of Zn2+ adsorption in silicate MEL-type nanoporous material Journal title: Iranian Chemical Communication Authors: Mehdi Ghambarian, Zahra Azizi, Mohammad Ghashghaee Subject(s): Chemistry
New 16-membered macrocyclic Schiff base: Synthesis, structural and FT-IR studies Journal title: Iranian Chemical Communication Authors: Aliakbar Dehno Khalaji, Salar Hafez Goran, Sepideh Mehrani, Karla Fejfarova, Michal Dusek Subject(s): Chemistry
A theoretical study on quadrupole coupling parameters of HRPII Protein modeled as 310-helix & α-helix structures Journal title: Iranian Chemical Communication Authors: Fatemeh Elmi, Nasser L. Hadipour Subject(s): Chemistry
Synthesis, spectroscopic (NMR and FT-IR) and theoretical (HF and DFT) investigation of dimethyl (Z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butendioate Journal title: Iranian Chemical Communication Authors: Prof. Dr. Ali Ramazani, Masoome Sheikhi, Ali Souldozi, Sang Woo Joo, Hooriye Yahyaei Subject(s): Chemistry
Brainwaves for User Verification using Two Separate Sets of Features based on DCT and Wavelet Journal title: International Journal of Advanced Computer Science & Applications Authors: Loay E. George, Hend A. Hadi Subject(s):
Vibrational, Ultra Violet, Natural Bond Orbital Analysis of E-1 using Quantum Mechanical Computations and Experimental Spectra. Journal title: Journal of New Developments in Chemistry Authors: D. Sumathi, H. Saleem, S. Srinivasan, N. RameshBabu Subject(s):
AB Initio (DFT) and Vibrational Studies of the Synthesized Heterocyclic Compound 2-6-oxo-2-Thioxotetrahydropyrimidin-41H-Ylidene Hydrazine Carbothioamide Journal title: Journal of New Developments in Chemistry Authors: N. Kalaiarasi, S. Manivarman Subject(s):
Testing DFT ability to predict the stereoselectivity of group 4 metallocenes in propylene polymerization Journal title: Polyolefins Journal Authors: Naeimeh bahri-Laleh, Laura Falivene, Luigi Cavallo Subject(s):
Thermodynamic Parameters of Lead Sulfide Crystals in the Cubic Phase Journal title: Фізика і хімія твердого тіла Authors: B.P. Volochanska Subject(s):
Thermodynamic Parameters of CdS Sphalerite Crystals in Quantum Chemistry Representation Journal title: Фізика і хімія твердого тіла Authors: D.M. Freik, T.О. Parashchuk, B.P. Volochanska, M.A. Rehteta, R.V. Dinjos Subject(s):
THEORETICAL STUDIES OF ELECTRONIC AND OPTICAL PROPERTIES FOR SOME NEW AZO DISPERSE DYES FOR DYE-SENSITIZED SOLAR CELLS BY USING TD AND TD DFT METHOD. Journal title: International Journal of Advanced Research (IJAR) Authors: Isaac Onoka, Numbury Surendra Babu, John J. Makangara. Subject(s):
Thermodynamic Parameters of PbTe Crystals: DFT-Calculations Journal title: Фізика і хімія твердого тіла Authors: D.M. Freik, B.P. Volochanska, T.О. Parashchuk Subject(s):
Application of expired drugs in corrosion inhibition of mild steel Journal title: International Journal of Pharmaceutical Chemistry and Analysis Authors: Neeraj Kumar Gupta, CSA Gopal, Vandana Srivastava, MA Quraishi Subject(s):
Coumarinthiopropionic Acids: Syntheses, Characterization, and Comparison of Docking-DFT Studies on their Antimicrobial Activity Journal title: World Journal of Pharmaceutical Sciences Authors: Dr. Kumaresan S. Subject(s):
