Subject (ZB): “...Quantum chemistry Computer programs....”

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Subject (ZB): “...Quantum chemistry....”

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Table of Contents: “...Theoretical Chemistry for Advanced Nanomaterials: Computational and Experimental Approaches -- Quantum Chemistry in Perovskite Fluoride and Hydride: Nanoscale Hydride Ion Conduction -- Local dielectric constant density analysis of high-k dielectric...”

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Subject (ZB): “...quantum chemistry...”

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Table of Contents: “... Induced by Ultrafast Linearly Polarized UV Pulses -- Full Quantum Calculations of the Diffusion Rate of Adsorbates -- Relativistic Quantum Chemistry: An Advanced Approach to the Construction of the Green Function of the Dirac Equation with Complex Energy...”

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Table of Contents: “...Adressing the Issues of Non-Additivity in the Development of Quantum Chemistry-Grounded Polarizable Molecular Mechanics -- Proton Transfer in Aqueous Solution: Exploring the Boundaries of Adaptative QM/MM -- Recent Progress in Adaptive-Partitioning QM/MM...”

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Table of Contents: “...A Quantum Chemistry Approach for the Design and Analysis of Nano sensors for Fissile Materials, Narendra Kumar and Jorge Seminario -- Distinct Diameter Dependences of Redox Property for Armchair, Zigzag Single-walled and Double-walled Carbon Nanotubes...”

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Table of Contents: “...Concepts and Methods in Quantum Chemistry.-Relativistic Effects in Quantum Chemistry.-Molecular Structure, Dynamics, and Spectroscopy -- Atoms and Molecules in Strong Electric and Magnetic Fields.-Reactive Collisions and Chemical Reactions -- Condensed...”

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Subject (ZB): “...Quantum chemistry Data processing....”

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Table of Contents: “...Molecular modeling: Motivation and general setting -- Molecular potential energy -- Basics of quantum mechanical technique -- Alternative representations -- Basics of quantum chemistry -- Alternative tools -- Separating electronic variables -- Hybrid...”

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Table of Contents: “... nanosilica surfaces studied by quantum chemistry -- Environmental Applications of Nanomaterials -- Synthesis and characterization of ordered mesoporous materials for removal of heavy metal ions -- Functionalized surfaces: silica structure and metal ion adsorption...”

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