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
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 BÄ
czek
A Perspective on Quantum Mechanics Calculations in ADMET Predictions
Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1257-1272
Author(s): J. Phillip Bowen,Osman F. Guner
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
DFT Studies and Quantum Chemical Calculations of BenzoylThiourea Derivatives Linked to Morpholine and Piperidine for theEvaluation 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
Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002
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
Quantum Chemical Studies of the Ground States of the Metal Centres in Haem-Copper Oxidases
Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 316-324
Author(s): Mikael P. Johansson