Search Result "Quantum-chemical calculations."


Quantum Chemical Study of Fe Doped ZnO Nanoclusters

Journal: Micro and Nanosystems
Volume: 5 Issue: 1 Year: 2013 Page: 14-21
Author(s): Shamoon Ahmad Siddiqui,M.M. Abdullah

Fluorescence of ZnTe Quantum Dots Prepared Through Chemical Route

Journal: Nanoscience & Nanotechnology-Asia
Volume: 4 Issue: 1 Year: 2014 Page: 45-48
Author(s): Lalit Baruah,Debesh K. Avasthi,Siddhartha S. Nath

Research Article

Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 7 Year: 2018 Page: 468-475
Author(s): Piotr Kawczak,Leszek Bober,Tomasz Bączek

Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts

Conformational Analysis of Ac-NPGQ-NH2 and Ac-VPaH-NH2 by Vibrational Circular Dichroism Spectroscopy Combined with Molecular Dynamics and Quantum Chemical Calculations

Journal: Protein & Peptide Letters
Volume: 14 Issue: 4 Year: 2007 Page: 353-359
Author(s): Attila Borics, Richard F. Murphy, Sandor Lovas

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

Quantum Chemical Assessment of the Interaction of Potential Anticorrosion Additives with Steel Surface

Journal: Innovations in Corrosion and Materials Science (Discontinued)
Volume: 4 Issue: 2 Year: 2014 Page: 107-117
Author(s): Ime B. Obot

Research Article

Evaluation of Chemotherapeutic Activity of the Selected Bases’ Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 2 Year: 2020 Page: 93-103
Author(s): Piotr Kawczak,Leszek Bober,Tomasz Bączek

Quantum Chemical Studies on Ultimate Carcinogenic Metabolites from Polycyclic Aromatic Hydrocarbons

Journal: Current Medicinal Chemistry
Volume: 15 Issue: 2 Year: 2008 Page: 2901-2920
Author(s): Gabriela L. Borosky

Research Article

Formation of a Toxic Quinoneimine Metabolite from Diclofenac: A Quantum Chemical Study

Journal: Drug Metabolism Letters
Volume: 13 Issue: 1 Year: 2019 Page: 64-76
Author(s): Muthusamy Ramesh,Prasad V. Bharatam

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