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Entropy and the second law of thermodynamics : ...or why things tend to go wrong and seem to get worse

Statistical mechanics : theory and molecular simulation

Structural dynamics with x-ray and electron scattering

Chemical bonding : from plane waves via atomic orbitals

QSPR/QSAR analysis using SMILES and quasi-SMILES

Quantum chemistry methods for oncological drugs

Group theory applied to chemistry

Reaction kinetics based on time-energy uncertainty principle

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Emerging materials and environment

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Equilibrium structure of free molecules : theory, experiment, and data analysis

Single Molecule Toroics : Synthetic Strategies, Theory and Applications

Ab initio calculation tutorial : for materials analysis, informatics and design

Higher mathematics for science and engineering

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Progress in the chemistry of organic natural products118

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Forcefields for atomistic-scale simulations : materials and applications

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C*-algebras and mathematical foundations of quantum statistical mechanics : an introduction

Efficient control and spontaneous transitions

Advances in quantum chemistryVolume 89 : Volume 89

High performance computing in science and engineering '21 : transactions of the High Performance Computing Center, Stuttgart (HLRS) 2021

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