Annual Report in Computational Chemistry, Volume 19, the latest release in this highly regarded series, highlights new advances in the field with this new volume presenting interesting chapters written by an international board of authors.
1. Cover image - p. i 2. Title page - p. ii 3. Table of Contents - p. iii 4. Copyright - p. iii 5. Contributors - p. iii 6. Chapter One: Defect mechanisms and transport properties of electrodes and solid-state electrolytes for alkali-ion batteries - p. 1 7. Chapter Two: Perspective on understanding and developing catalysts for oxidative coupling of methane - p. 45 8. Chapter Three: High throughput anharmonic vibrational and rotational spectral computations - p. 65 9. Chapter Four: Non-empirical quadratic-integrand double-hybrid (QIDH) functionals: Merging DFT and wavefunction methods through parameter-free expressions - p. 87 10. Chapter Five: Harness the power of atomistic modeling and deep learning in biofuel separation - p. 121
Annual Report in Computational Chemistry, Volume 19, the latest release in this highly regarded series, highlights new advances in the field with this new volume presenting interesting chapters written by an international board of authors.
1. Cover image - p. i 2. Title page - p. ii 3. Table of Contents - p. iii 4. Copyright - p. iii 5. Contributors - p. iii 6. Chapter One: Defect mechanisms and transport properties of electrodes and solid-state electrolytes for alkali-ion batteries - p. 1 7. Chapter Two: Perspective on understanding and developing catalysts for oxidative coupling of methane - p. 45 8. Chapter Three: High throughput anharmonic vibrational and rotational spectral computations - p. 65 9. Chapter Four: Non-empirical quadratic-integrand double-hybrid (QIDH) functionals: Merging DFT and wavefunction methods through parameter-free expressions - p. 87 10. Chapter Five: Harness the power of atomistic modeling and deep learning in biofuel separation - p. 121
