- 274 pages
- English
- ePUB (mobile friendly)
- Available on iOS & Android
eBook - ePub
About this book
Computational Chemistry serves as a complement to experimental chemistry where the tools are limited. Using computational programs to solve advanced problems is widely used in the design and analysis of for example new molecules, surfaces, drugs and materials. This book will present novel innovations in the field, with real-life examples of where computational technologies serves as an indispensible tool.
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Yes, you can access Computational Chemistry by Ponnadurai Ramasami in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Chemistry. We have over one million books available in our catalogue for you to explore.
Information
Table of contents
- Title Page
- Copyright
- Contents
- 1âStructural and spectroscopic properties of 3-halogenobenzaldehydes: DFT and TDDFT simulations
- 2âAtomistic insight into the significantly enhanced photovoltaic cells of monolayer GaTe2 via two-dimensional van der Waals heterostructures engineering
- 3âFluorescent styryl chromophores with rigid (pyrazole) donor and rigid (benzothiophenedioxide) acceptor â complete density functional theory (DFT), TDDFT and nonlinear optical study
- 4âComparative studies of excited state intramolecular proton transfer (ESIPT) and azo-hydrazone tautomerism in naphthalene-based fluorescent acid azo dyes by computational study
- 5âTheoretical examination of efficiency of anthocyanidins as sensitizers in dye-sensitized solar cells
- 6âSelection of oxypeucedanin as a potential antagonist from molecular docking analysis of HSP90
- 7âMechanistic insight into the interactions between thiazolidinedione derivatives and PTP-1B combining 3D QSAR and molecular docking in the treatment of type 2 diabetes
- 8âReview of research of nanocomposites based on graphene quantum dots
- 9âA computational study of the SNAr reaction of 2-ethoxy-3,5-dinitropyridine and 2-methoxy-3,5-dinitropyridine with piperidine
- 10âSynthesis, characterization and computational studies of 1,3-bis[(E)-furan-2-yl)methylene]urea and 1,3-bis[(E)-furan-2-yl)methylene]thiourea
- 11âComputational studies of biologically active alkaloids of plant origin: an overview
- 12âInvestigating the biological actions of some Schiff bases using density functional theory study
- 13âMolecular mechanics approaches for rational drug design: forcefields and solvation models
- Index