Theoretical and Computational Chemistry Series – serie

Knowledge-Based Expert Systems in Chemistry

Not Counting on Computers

London Dispersion Forces in Molecules, Solids and Nano-structures

An Introduction to Physical Models and Computational Methods

In Silico Medicinal Chemistry

Computational Methods to Support Drug Design

Simulating Enzyme Reactivity

Computational Methods in Enzyme Catalysis

Computational Biophysics of Membrane Proteins

Cold Chemistry

Molecular Scattering and Reactivity Near Absolute Zero

Theoretical Chemistry for Electronic Excited States

Attosecond Molecular Dynamics

Self-organized Motion

Physicochemical Design based on Nonlinear Dynamics

Computational Techniques for Analytical Chemistry and Bioanalysis

Knowledge-based Expert Systems in Chemistry

Artificial Intelligence in Decision Making

Understanding Hydrogen Bonds

Theoretical and Experimental Views

Machine Learning in Chemistry

The Impact of Artificial Intelligence

Tunnelling in Molecules

Nuclear Quantum Effects from Bio to Physical Chemistry

Structural Dynamics with X-ray and Electron Scattering

Packing Problems in Soft Matter Physics

Fundamentals and Applications

Cheminformatics and Bioinformatics at the Interface with Systems Biology

Bridging Chemistry and Medicine

Effects of Electric Fields on Structure and Reactivity

New Horizons in Chemistry

Multiscale Dynamics Simulations

Nano and Nano-bio Systems in Complex Environments

Exploration on Quantum Chemical Potential Energy Surfaces

Towards the Discovery of New Chemistry

Machine Learning and Hybrid Modelling for Reaction Engineering

Theory and Applications

Single-Ion Solvation

Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities

Non-Covalent Interactions

Theory and Experiment

Computational Nanoscience

Computational Quantum Chemistry

Molecular Structure and Properties In Silico

Theory of Molecular Collisions