Search Result "DFT"


Research Article

The Photoreaction of Pyrylium Cation with Water: A DFT Study

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 9 Year: 2022 Page: 739-742
Author(s):

Research Article

DFT Study on the Interaction of Lenalidomide Anticancer Drug on theSurface of B12N12 Nanocluster

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 7 Year: 2022 Page: 583-595
Author(s): Rakesh Kumar,Sadegh Kaviani,Masoome Sheikhi,Shamsa Sharifi

Research Article

Investigation of Adsorption Effect of Carbon Monoxide on Coniine: A DFT Study

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 4 Year: 2022 Page: 298-313
Author(s): Siyamak Shahab,Masoome Sheikhi,Mehrnoosh Khaleghian,Marina Murashko,Mahin Ahmadianarog,Mikhail Atroshko

Research Article

Substitutional Tungsten Doping in Silicon Carbide Introducing MagneticProperties: A Computational DFT Approach

Journal: Nanoscience & Nanotechnology-Asia
Volume: 12 Issue: 4 Year: 2022 Page: 53-59
Author(s): Dipan kumar Das

Research Article

Adsorption Properties and Quantum Molecular Descriptors of the AnticancerDrug Cytophosphane on the Armchair Single-Walled CarbonNanotubes: A DFT Study

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 1 Year: 2022 Page: 1034-1034
Author(s):

Research Article

Cytotoxicity, Molecular Docking, ADMET and DFT Analysis of Alkaloidsfrom the Roots and Fruits of Vepris dainelli

Journal: Current Bioactive Compounds
Volume: 18 Issue: 8 Year: 2022 Page: 41-53
Author(s):

Research Article

DFT Study of the Possible Reaction Path for Radical Promoted EsterificationMechanism of Free Fatty Acids of Soapnut Oil for the Production ofBiodiesel

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 1 Year: 2022 Page: 1023-1033
Author(s):

Research Article

Diazo-coupling Reaction Between 2-Aminothiazole and Thymol; Synthesis, DFT Studies, and Specific Heat Capacity Calculations Using TGA-DSC

Journal: Current Physical Chemistry
Volume: 12 Issue: 1 Year: 2022 Page: 57-66
Author(s): Chandrakant H. Sarode,Sachin D. Yeole,Gaurav R. Gupta,Govinda P. Waghulde

Research Article

DFT Studies and Quantum Chemical Calculations of Benzoyl Thiourea Derivatives Linked to Morpholine and Piperidine for the Evaluation of Antifungal Activity

Journal: Current Physical Chemistry
Volume: 12 Issue: 1 Year: 2022 Page: 29-36
Author(s): Rameshwar K. Dongare,Shaukatali N. Inamdar,Radhakrishnan M. Tigote

Research Article

Reactivity of 9-anilinoacridine Derivatives as Potent AnticancerAgents: A DFT Approach

Journal: Current Physical Chemistry
Volume: 12 Issue: 3 Year: 2022 Page: 203-215
Author(s): Ramesh Chandra Deka

Previous   Next

Go To   Results 1 - 1 of 101

Filter Result

Volume Year
Content Type
Ads
© 2024 Bentham Science Publishers | Privacy Policy