Computational Chemistry

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 f…

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Computational Chemistry Methods

This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus…

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Errol G. Lewars
Computational Chemistry

This is the fourth edition of the successful textbook on computational chemistry which continues to provide a comprehensive introduction to the theory and practice of computational chemistry. Notable upda…

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Theoretical and Computational Chemistry

This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calcu…

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Sustainable Chemistry Research

Chapters collected from "The Virtual Conference on Chemistry and its Applications (VCCA-2022) Resilience and Sustainable Research through Basic Sciences". This conference was held on August 8-12, 2022 a…

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Mathematical Descriptors of Molecules and Biomolecules

This book provides an up-to-date overview of data driven and evidence-based empirical approaches in the efficient application of chemodescriptors and biodescriptors. Currently there is a steady increase i…

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Computational Catalysis 2/E

First-principles-based modelling of catalysts is a growing field and the past decade has seen the range of applications for it increase. Improvements in computing power and method development in areas suc…

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Polypharmacology

Practical guide to navigate problems involved with promiscuous ligands and multi-target drug discovery, supported by case studies and real examples Polypharmacology covers the two-sided nature of polyphar…

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Mark F Russo, William Neil
Streamlining Your Research Laboratory with Python

"This book introduces Python as a powerful tool for researchers in scientific laboratories. It highlights Python's simplicity, versatility, and extensive libraries, making it ideal for automating tasks, p…

lieferbar ab 22.7.2025.

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Computational Methods for Rational Drug Design

Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug De…

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Exploring Computational Pharmaceutics

Provides an extensive and up-to-date overview of the theory and application of computational pharmaceutics in the drug development process Exploring Computational Pharmaceutics - AI and Modeling in Pharma…

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Sustainable Chemistry Research

Chapters collected from "The Virtual Conference on Chemistry and its Applications (VCCA-2022) Resilience and Sustainable Research through Basic Sciences". This conference was held on August 8-12, 2022 a…

lieferbar innerhalb 2-3 Wochen

Buch

Sustainable Chemistry Research

Chapters collected from "The Virtual Conference on Chemistry and its Applications (VCCA-2022) Resilience and Sustainable Research through Basic Sciences". This conference was held on August 8-12, 2022 a…

lieferbar innerhalb 2-3 Wochen

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Erum Akbar Hussain, Ambreen Ghani, Zubi Sadiq
Oxazole, Isoxazole, Benzoxazole-Based Drug Discovery

Oxazole, Isoxazole, Benzoxazole Based Drug Discovery offers complete coverage of oxazole and related molecules, both from natural and synthetic origin, with a focus on the reaction mechanisms, and medicin…

lieferbar in mind. 4 Wochen

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Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

This book contains peer-reviewed contributions based on talks presented at the 25th International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Torü, Poland, in June 2022. The boo…

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