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…

lieferbar innerhalb 2-3 Wochen

Buch

EUR 163,72*

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…

lieferbar innerhalb 2-3 Wochen

Buch

EUR 168,84*

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…

lieferbar innerhalb 2-3 Wochen

Buch

EUR 138,67*

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…

sofort lieferbar

Buch

EUR 189,32*

Mathematical Descriptors of Molecules and Biomolecules

Synthesis Lectures on Mathematics & Statistics

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…

lieferbar innerhalb 2-3 Wochen

Buch

EUR 42,66*

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

EUR 158,60*

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…

lieferbar ab 20.12.2024.

Buch

EUR 349,21*

Hiroki Nakamura, Yoshiaki Teranishi, Shinkoh Nanbu
Semiclassical Molecular Dynamics Simulation Method

Various quantum mechanical effects such as nonadiabatic transition, tunneling, and interference phenomena play crucial roles in chemical and biological systems. Semiclassical molecular dynamics is an atte…

Erscheint bald

Buch

Machine Learning and Hybrid Modelling for Reaction Engineering

Machine Learning and Hybrid Modelling for Reaction Engineering summarises latest research and fills a gap in methodology development of hybrid models for reaction engineering applications.

lieferbar innerhalb 1-2 Wochen

Buch

EUR 313,84*

Structural Dynamics with X-Ray and Electron Scattering

This book introduces the background of scattering theory and discusses its latest applications to imaging ultrafast structural dynamics in gas-phase molecules and condensed matter.

lieferbar innerhalb 1-2 Wochen

Buch

EUR 345,42*

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…

lieferbar ab 26.2.2025.

Buch

EUR 325,20*

Julia Contreras-García, Ángel Martín Pendás
Topological Approaches to the Chemical Bond

Theoretical Chemistry and Computational Modelling

This graduate textbook provides comprehensive information on topological analysis in real space of the electronic structure. Application of the topological tools is becoming routine for understanding the …

lieferbar innerhalb 2-3 Wochen

Buch

EUR 69,33*

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…

lieferbar ab 5.2.2025.

Buch

EUR 318,89*

[Set Computational Drug Discovery + Computational Drug Delivery]

Computational methods and understanding computational models are important in modern drug discovery. The books focus on computational approaches that can improve the development of in silico methodologies…

sofort lieferbar

Buch

EUR 265,84*

Emerging Materials and Environment

Challenges and Advances in Computational Chemistry and Physics -Band 37

This contributed volume presents chapters integrating experimental and computational advances in materials research and discusses how the potential release of emerging materials would impact the environme…

lieferbar innerhalb 2-3 Wochen

Buch

EUR 186,19*

Computational Modelling of Molecular Nanomagnets

Challenges and Advances in Computational Chemistry and Physics -Band 34

This book summarizes the state-of-the-art advances in the area of computational modelling of molecule-based magnets. Nowadays, various computational tools based on DFT, ab initio methods and other techniq…

lieferbar innerhalb 2-3 Wochen

Buch

EUR 219,03*

Machine Learning in Molecular Sciences

Challenges and Advances in Computational Chemistry and Physics -Band 36

Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. Thi…

lieferbar innerhalb 2-3 Wochen

Buch

EUR 197,13*

QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

Challenges and Advances in Computational Chemistry and Physics -Band 33

This contributed volume overviews recently presented approaches for carrying out QSPR/QSAR analysis by using a simplifying molecular input-line entry system (SMILES) to represent the molecular structure. …

lieferbar innerhalb 2-3 Wochen

Buch

EUR 186,19*

Current Trends in Computational Modeling for Drug Discovery

Challenges and Advances in Computational Chemistry and Physics -Band 35

This contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The different chapters deal with the classical and most adv…

lieferbar innerhalb 2-3 Wochen

Buch

EUR 251,89*

Computational Drug Discovery. 2 Volumes

A comprehensive resource that explains a wide array of computational technologies and methods driving innovation in drug discovery Computational Drug Discovery: Methods and Applications (2 volume set) cov…

sofort lieferbar

2 Bücher

EUR 308,08*

Computational Chemistry – alle Bücher

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