Quantum and theoretical chemistry

Crowds are misleading, both in their simplicity and in their complexity.

At long last, an accessible little book that focuses on the teachings of Rumi's teacher and inspiration, Shams of Tabriz.

This book comprehensively reviews the epidemiology and surveillance strategies of Visceral Leishmaniasis, and the latest developments in disease diagnosis, drug discovery, and vaccine development.

This book comprehensively reviews the epidemiology and surveillance strategies of Visceral Leishmaniasis, and the latest developments in disease diagnosis, drug discovery, and vaccine development.

This book introduces a comprehensive framework tailored for dissecting complex systems across diverse disciplines.

This book introduces a comprehensive framework tailored for dissecting complex systems across diverse disciplines.

This thesis describes how the rich internal degrees of freedom of molecules can be exploited to construct the first "e;clock"e; based on ultracold molecules, rather than atoms.

This thesis describes how the rich internal degrees of freedom of molecules can be exploited to construct the first "e;clock"e; based on ultracold molecules, rather than atoms.

This book provides a comprehensive overview of Nuclear Magnetic Resonance (NMR) theory, its applications, and advanced techniques to improve the quality and speed of NMR data acquisition.

This molecular dynamics textbook takes the reader from classical mechanics to quantum mechanics and vice versa, and from few-body systems to many-body systems.

This molecular dynamics textbook takes the reader from classical mechanics to quantum mechanics and vice versa, and from few-body systems to many-body systems.

This textbook takes physics and engineering undergraduates through the mathematics they need in the first years of study.

This book undertakes an extensive exploration of manganese-based compounds, such as T1?

This book undertakes an extensive exploration of manganese-based compounds, such as T1?

This book comprehensively reviews current and novel treatment strategies against human parasites, including protozoans and helminths, using natural products.

This book comprehensively reviews current and novel treatment strategies against human parasites, including protozoans and helminths, using natural products.

In Molecular and Computational Modeling of Cardiac Function, a group of prominent professors and researchers explain the fundamental concepts of molecular modeling and illustrate the biomedical applications.

This book outlines past and new developments in molecular response theory in terms of static and dynamic-induced current densities and showcases an important step forward in the field of molecular density functions and their topological analysis.

This thesis addresses deep questions that cut to the physical and informational essence of central chemical quantities such as transition paths and reaction mechanisms and proposes fundamental new connections between transition-path theory, linear-response theory, nonequilibrium thermodynamics, and information theory.

This thesis addresses deep questions that cut to the physical and informational essence of central chemical quantities such as transition paths and reaction mechanisms and proposes fundamental new connections between transition-path theory, linear-response theory, nonequilibrium thermodynamics, and information theory.

This book is a brief and accessible popular science text intended for a broad audience and of particular interest also to science students and specialists.

This book contains peer-reviewed contributions based on talks presented at the 25th International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Torun, Poland, in June 2022.

The third edition of this book has been updated so that both advanced physics and advanced chemistry can be overviewed from a modern mathematical perspective in a single integrated book.

This book is a brief and accessible popular science text intended for a broad audience and of particular interest also to science students and specialists.

The third edition of this book has been updated so that both advanced physics and advanced chemistry can be overviewed from a modern mathematical perspective in a single integrated book.

This book sheds new light on the interactions between the science of complexity and the science of systems.

This brief introduces the reader to the topic of superhalogens, a special class of atomic clusters that can potentially mimic the behavior of halogen atoms.

This brief introduces the reader to the topic of superhalogens, a special class of atomic clusters that can potentially mimic the behavior of halogen atoms.

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 highlights important aspects of nonlinear dynamics of biophysical nanosystems, such as DNA, alpha helix, and microtubules.

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.

Many physical and engineering systems deal with micro-, meso-, macro-, and multi-scale phenomena.

This book focuses on the development of novel functionalized organoboron compounds and those synthetic methods.

This thesis highlights the study into the structures and dynamics of interfacial water, which is a cutting edge issue in condensed matter physics.

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.

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 covers the design and development of glucocorticoid receptor modulators (GRM) from cortisol to antibody-drug conjugate payloads over the last 70 years.

This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy.

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.

This thesis offers novel methods for catalyst and process design for the selective hydrogenation of acetylene and 1,3-butadiene.

This book highlights important aspects of nonlinear dynamics of biophysical nanosystems, such as DNA, alpha helix, and microtubules.

This book focuses on recent topics of quantum science in both physics and chemistry.

This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels.

This book presents peer-reviewed articles and recent advances on the potential applications of Science and Mathematics for future technologies, from the 7th International Conference on the Applications of Science and Mathematics (SCIEMATHIC 2021), held in Malaysia.

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.

This book covers the design and development of glucocorticoid receptor modulators (GRM) from cortisol to antibody-drug conjugate payloads over the last 70 years.