Theoretical and Computational Chemistry – serie

Properties and Functionalization of Graphene

A Computational Chemistry Approach

Molecular Modeling of the Sensitivities of Energetic Materials

The Crystalline States of Organic Compounds

Density Functional Theory

Current Trends and Applications

Python for Quantum Chemistry

A Full Stack Programming Guide

Cheminformatics with Python

A Beginner's Guide to Computational Chemistry

Methods and Applications

Computational Modelling Approaches to Energy Storage Materials

Operating Mechanisms, State-of-the-Art Methods, and Applications to the Atomistic Modelling of Batteries and Capacitors

Theoretical and Physical Chemistry of Triel Bonding

Properties, Mechanisms, and Catalysis

Metamorphosis of Computational Chemistry Driven by Artificial Intelligence and Industry 5.0

Computational Modeling for Advanced Photovoltaics

Materials, Interfaces, and Phenomena for Beyond-Silicon Solar Cells

Quantum Algorithms for Molecular Systems

Introduction to Computational Electrochemistry

Modelling Methods and Applications in Interfacial Phenomena, Electrocatalysis, and Energy Storage

Computational Molecular Biology

Theoretical Biochemistry

Processes and Properties of Biological Systems

Valence Bond Theory

Relativistic Electronic Structure Theory - Fundamentals

Relativistic Electronic Structure Theory

Part 2. Applications

Computational Materials Science

Energetic Materials

Part 2. Detonation, Combustion

Computational Photochemistry

Theoretical Aspects of Chemical Reactivity

Molecular and Nano Electronics: Analysis, Design and Simulation

Nanomaterials: Design and Simulation

Quantitative Treatments of Solute/Solvent Interactions

Molecular Electrostatic Potentials

Concepts and Applications

Recent Developments and Applications of Modern Density Functional Theory

Theoretical Organic Chemistry