Search Result "Donor wavefunction"


Size-dependent Effects in Silicon Carbide and Diamond Nanomaterials as Studied by CW and Pulse EPR Methods

Ebook: Frontiers in Magnetic Resonance
Volume: 1 Year: 2018
Author(s): Dariya Savchenko
Doi: 10.2174/9781681086934118010015

Intramolecular Electron Transfer: Computational Study Based on the Orbital Deletion Procedure (ODP)

Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 779-790
Author(s): Yirong Mo

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

Effect of DNA Microenvironment on Photosensitized Reaction of Watersoluble Cationic Porphyrins

Journal: Recent Advances in DNA & Gene Sequences (Discontinued)
Volume: 8 Issue: 1 Year: 2014 Page: 35-43
Author(s): Kazutaka Hirakawa,Shuku Nakajima

Research Article

DFT and Molecular Docking Analysis of Newly SynthesizedCompound (2E)-3-[3-(Benzyloxy) Phenyl]-1-(4’-Chlorophe-Nyl)-2-Propen-1-One [Bpclpo]

Journal: Current Physical Chemistry
Volume: 13 Issue: 1 Year: 2023 Page: 37-74
Author(s): Aso Hameed Hasan,Yeap Lon Er

An In Silico 3D Pharmacophore Model of Chalcones Useful in the Design of Novel Antimalarial Agents

Journal: Medicinal Chemistry
Volume: 3 Issue: 4 Year: 2007 Page: 317-326
Author(s): A.K. Bhattacharjee, D.A. Nichols, L. Gerena, N. Roncal, C.E. Gutteridge

Subject Index

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010011

Quantum Systems of Electrons in a Semiconductor Crystal

Ebook: Open Quantum Physics and Environmental Heat Conversion into Usable Energy
Volume: 2 Year: 2017
Author(s): Eliade Stefanescu
Doi: 10.2174/9781681084190117020004

Computational Investigations on Organic Sensitizers for Dye-Sensitized Solar Cell

Journal: Current Organic Synthesis
Volume: 9 Issue: 2 Year: 2012 Page: 215-232
Author(s): Mariachiara Pastore, Edoardo Mosconi, Simona Fantacci, Filippo De Angelis

Photonic Crystal Technologies: From Theories to Practice

Ebook: Photonic Bandgap Structures Novel Technological Platforms for Physical, Chemical and Biological Sensing
Volume: 1 Year: 2012
Author(s): Dennis W. Prather,Shouyuan Shi,Ahmed Sharkawy,Janusz Murakowski,Garrett J. Schneider
Doi: 10.2174/978160805448011201010049

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