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This book builds bridges between two yet separated branches of theoretical and mathematical chemistry: Chemical Graph Theory and Electronic Structure Calculations. Although either …
Absorption, Distribution, Metabolism and Excretion (ADME) processes and their relationship with the design of dosage forms and the success of pharmacotherapy form the basis of this …
This textbook, the second in a series (the first covered fundamentals and basics), seeks to make its material accessible to physics students. Physics/engineering can be greatly …
This textbook presents the fundamentals of statistical thermodynamics and electronic structure theory and focuses on introducing the central concepts of thermodynamics and their …
This book illustrates advancements in the sophisticated tools and techniques for discovering and designing new antiviral drugs, identifying approved drugs against new and emerging …
This textbook provides a comprehensive, thorough and up-to-date treatment of topics of mathematics that an engineer and scientist would need, at the basic levels that contents of …
This book deals with a central topic at the interface of chemistry and physics — the understanding of how the transformation of matter takes place at the atomic level. Building on …
The second edition of this textbook provides a more elaborate explanation of several important group-theoretical concepts in quantum chemistry, such as: the bra-ket conjugation …
This book is a monograph dedicated to hydrogen metallurgy technology in iron ore reduction in the world (mainly in China), aiming to accelerate the development of hydrogen …
This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing …