Thermal decomposition of 3,6-diphenyl-1,2,4,5-tetroxane in nitromethane solution Journal title: JOURNAL OF ADVANCES IN CHEMISTRY Authors: Nelly Lidia Jorge, Alexander German Bordón, Andrea Natalia Pila, Mariela Ines Profeta, Maria Josefa... Subject(s):
Enrichment of Poly Vinyl Chloride (PVC) Biological Uses Through Sodium Chloride Filler, Density Functional Theory (DFT) Supported Experimental Study Journal title: JOURNAL OF ADVANCES IN PHYSICS Authors: A. M. Abdelghany, M S Meikhail, R Hamdy Subject(s):
Mechanical Bending Effects on Hydrogen Storage of Ni Decorated (8, 0) Boron Nitride Nanotube: DFT Study Journal title: JOURNAL OF ADVANCES IN PHYSICS Authors: atef elmahdy, hayam taha, mohamed kamel, menna Tarek Subject(s):
Vibrational Spectra, Electronic Structure and Properties of the Molecules Aspirin and Ibuprofen. Journal title: JOURNAL OF ADVANCES IN PHYSICS Authors: Geh Wilson Ejuh, Chifu Ebenezar Ndikilar, F. Tchangnwa Nya, Nouemo Samuel, Ndjaka Jean Marie Subject(s):
Molecular Spectroscopic Characterization and Electronic Structure Analysis of N- benzylaniline- A DFT Approach Journal title: JOURNAL OF ADVANCES IN PHYSICS Authors: Theraviyum Chithambarathanu, K. Vanaja, J. DaisyMagdaline Subject(s):
Density functional theory, Comparative vibrational spectroscopic studies, HOMO-LUMO, and NBO analysis of Trichloro isocyanuric acid and Trithio cyanuric acid Journal title: JOURNAL OF ADVANCES IN PHYSICS Authors: Theraviyum Chithambarathanu, M. Darathi, J. DaisyMagdaline, S. Gunasekaran Subject(s):
Experimental and Theoretical (ab initio and DFT) Analysis of UV-Vis Spectra, Thermodynamic Functions and Non-linear Optical Properties of 2-Chloro-3,4-Dimethoxybenzaldehyde Journal title: JOURNAL OF ADVANCES IN PHYSICS Authors: sarvendra kumar, Rajesh Kumar, Jayant Teotia, M. K. Yadav Subject(s):
Structural and vibrational properties of three species of anti-histaminic diphenhydramine by using DFT calculations and the SQM approach Journal title: To Chemistry Journal Authors: Silvia Antonia Brandan Subject(s):
Interaction of EDNA With Proton-A DFT Treatment Journal title: To Chemistry Journal Authors: Lemi Türker Subject(s):
Interaction Interaction of Trans-Retinol and 1,1-Diamino-2,2-Dinitroethylene (FOX-7)- A DFT Treatment Journal title: To Chemistry Journal Authors: Lemi Türker Subject(s):
Evaluation of C60 nano-structure performance as nano-carriers of procarbazine anti-cancer drug using density functional theory methods Journal title: Eurasian Chemical Communications Authors: Behnam Farhang Rik, Roya Ranjineh khojasteh, Maryam Karegar Razi Subject(s): Chemistry, Multidisciplinary, Chemistry, Organic
Electro-Optical and Photovoltaic Properties of Oligothiophene and Derivatives; Experimental and Theoretical Investigations Journal title: Chemical Methodologies Authors: Rchid Kacimi, Khawla Khouzami, Tayeb Abram, Lahcen Bejjit, Mohammed Nassiri Bennani, Mohammed Bouach... Subject(s):
An Alternative Approach to Computational Peptidology Based on Conceptual DFT and Empirical Bioactivity Scores
Theoretical Study on Ionization of Boric Acid in Aqueous Solution by Ab Initio and DFT Methods at T=298.15 K Journal title: Turkish Journal of Pharmaceutical Sciences Authors: Hoodad GHANIZADEH, Farhoush KIANI, Fardad KOOHYAR, Bahareh KHANLARZADEH Subject(s): Medicine, Pharmacology
Research of CO oxidation on supported oxide catalysts based on density functional theory Journal title: Energy Environmental Protection Authors: CHEN Kunlu|School of Energy and Power Engineering, Chongqing University, China, Key Laboratory of Lo... Subject(s): Energy, Environmental Protection
