This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches.
This book presents peer-reviewed articles and recent advances on the potential applications of Science and Mathematics for future technologies, from the 8th International Conference on the Applications of Science and Mathematics (SCIEMATHIC 2022), held in Malaysia.
This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches.
This book presents peer-reviewed articles and recent advances on the potential applications of Science and Mathematics for future technologies, from the 8th International Conference on the Applications of Science and Mathematics (SCIEMATHIC 2022), held in Malaysia.
This book covers the current, state-of-the-art knowledge, fundamental mechanisms, design strategies, and future challenges in electrochemical energy storage devices using polymeric materials.
This book covers the current, state-of-the-art knowledge, fundamental mechanisms, design strategies, and future challenges in electrochemical energy storage devices using polymeric materials.
Der Band 9 des bewährten und erfolgreichen Laborhandbuches für Analytiker stellt aktuelle Methoden der chemischen, klinisch-chemischen und Umweltanalytik praxisnah dar.
This book provides a comprehensive overview of a computationally efficient approach for modelling the phase behaviour of multicomponent alloys from first principles, describing both short- and long-range atomic ordering tendencies.
This brief explains the principles and fundamentals of carbon dioxide utilization and highlights the transformation to fuels and value-added chemicals such as formic acid and methanol.
This book focuses on X-ray spectroscopy for chemical state analysis covering X-ray physics, spectroscopic characteristics used for functional and toxic materials, and the author's ideas related to X-ray experiments.
The book provides a unique analysis of current air pollution in Germany by correlating results from chemical transport modelling and accumulation monitoring by moss.
This book begins by providing a simplified version of the computational quantum chemistry sufficient to calculate the wavefunctions that are the basic input of NG-QTAIM.
This book focuses on in-situ transmission electron microscopy (TEM), an investigatory technique used to observe a sample's response to a given stimulus (including electron irradiation, thermal excitation, mechanical force, optical excitation, electric and magnetic fields) at the nanoscale in real time.
This book covers the design and development of glucocorticoid receptor modulators (GRM) from cortisol to antibody-drug conjugate payloads over the last 70 years.
This thesis describes improvements to and control of the electrical conductance in single-molecule junctions (SMJs), which have potential applications in molecular electronics, with a focus on the bonding between the metal and molecule.
This book describes the photocatalytic mechanism, factors affecting photocatalytic activity, design and preparation of different kinds of nanostructured photocatalysts, and their applications in the environmental and energy fields.
This thesis presents a series of experimental techniques based on scanning probe microscopy, which make it possible access the degree of freedom of protons both in real and energy space.
This book provides a comprehensive overview of the fundamental properties, preparation routes and applications of a novel class of organic-inorganic nanocomposites known as periodic mesoporous organosilicas (PMOs).
This book demonstrates that solar energy, the most abundant and clean renewable energy, can be utilized to drive methane activation and conversion under mild conditions.
This thesis focuses on the nanomanufacturing of graphene-a newly discovered, two-dimensional material with extraordinary properties-in order to realize its numerous potential applications.
In this book, the author demonstrates that double-helix formation and fibril film formation occur on solid surfaces as a result of the catalytic effect of the liquid-solid interface of the newly synthesized helicene oligomer.
This book covers various molecular, metal-organic, dynamic covalent, polymer and other gels, focusing on their driving interactions, structures and properties.