Chemistry Calculations for O-Level and Beyond
Author: J. H. Allen
Publisher:
Published: 1983-01-01
Total Pages: 70
ISBN-13: 9780245540608
DOWNLOAD EBOOK →Author: J. H. Allen
Publisher:
Published: 1983-01-01
Total Pages: 70
ISBN-13: 9780245540608
DOWNLOAD EBOOK →Author: E. N. Ramsden
Publisher:
Published: 1981-01-01
Total Pages: 151
ISBN-13: 9780859503129
DOWNLOAD EBOOK →Author:
Publisher: Panpac Education Pte Ltd
Published: 2006
Total Pages: 160
ISBN-13: 9789812711670
DOWNLOAD EBOOK →Author:
Publisher: Panpac Education Pte Ltd
Published:
Total Pages: 308
ISBN-13: 9789812737274
DOWNLOAD EBOOK →Author: Wei Hu
Publisher: Frontiers Media SA
Published: 2021-09-13
Total Pages: 116
ISBN-13: 2889713008
DOWNLOAD EBOOK →Author: Paul Yates
Publisher: John Wiley & Sons
Published: 2009-02-05
Total Pages: 208
ISBN-13: 1405146214
DOWNLOAD EBOOK →It is now possible to enter a chemistry degree course at many UKuniversities without any formal maths training beyond age 16.Addressing this deficiency requires students to take additionalmathematics training when entering university, yet the relevance ofmaths to chemistry is often poorly appreciated by chemistrystudents. In addition, many service courses are either tooabstract, or aimed at physicists and engineers, for students ofchemistry, who are not inclined to study mathematical techniquesper se and do not make the connection between the maths theyare taught and the chemistry they want to study. Based on the successful at a Glance approach, withintegrated double page presentations explaining the mathematicsrequired by undergraduate students of chemistry, set in context bydetailed chemical examples, this book will be indispensable to allstudents of chemistry. By bringing the material together in thisway the student is shown how to apply the maths and how it relatesto familiar concepts in chemistry. By including problems (withanswers) on each presentation, the student is encouraged topractice both the mathematical manipulations and the application toproblems in chemistry. More detailed chemical problems at the endof each topic illustrate the range of chemistry to which the mathsis relevant and help the student acquire sufficient confidence toapply it when necessary.
Author:
Publisher: Academic Press
Published: 2016-01-28
Total Pages: 440
ISBN-13: 0128030615
DOWNLOAD EBOOK →Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology Features detailed reviews written by leading international researchers The volume includes review on all the topics treated by world renown authors and cutting edge research contributions.
Author: Rex M. Heyworth
Publisher: Pearson Education South Asia
Published: 2007
Total Pages: 516
ISBN-13: 9789812478245
DOWNLOAD EBOOK →Author: Juan I. Rodriguez
Publisher: Elsevier
Published: 2022-12-06
Total Pages: 570
ISBN-13: 0323908926
DOWNLOAD EBOOK →Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties. Provides a contemporary review of the extensions and application of QTAIM methods Compiles all extensions of QTAIM in one place for easy reference Includes a chapter with an Introduction to Quantum Chemistry Presents complex information at a level accessible to those engaged in theoretical/computational chemistry
Author: Kazuo Takatsuka
Publisher: World Scientific
Published: 2014-12-09
Total Pages: 448
ISBN-13: 9814619663
DOWNLOAD EBOOK →This unique volume offers a clear perspective of the relevant methodology relating to the chemical theory of the next generation beyond the Born-Oppenheimer paradigm. It bridges the gap between cutting-edge technology of attosecond laser science and the theory of chemical reactivity. The essence of this book lies in the method of nonadiabatic electron wavepacket dynamic, which will set a new foundation for theoretical chemistry. In light of the great progress of molecular electronic structure theory (quantum chemistry), the authors show a new direction towards nonadiabatic electron dynamics, in which quantum wavepackets have been theoretically and experimentally revealed to bifurcate into pieces due to the strong kinematic interactions between electrons and nuclei. The applications range from nonadiabatic chemical reactions in photochemical dynamics to chemistry in densely quasi-degenerated electronic states that largely fluctuate through their mutual nonadiabatic couplings. The latter is termed as “chemistry without the potential energy surfaces” and thereby virtually no theoretical approach has been made yet. Restarting from such a novel foundation of theoretical chemistry, the authors cast new light even on the traditional chemical notions such as the Pauling resonance theory, proton transfer, singlet biradical reactions, and so on. Contents:The Aim of This Book: Where are We?Basic Framework of Theoretical ChemistryNuclear Dynamics on Adiabatic Electronic Potential Energy SurfacesBreakdown of the Born–Oppenheimer Approximation: Classic Theories of Nonadiabatic Transitions and Ideas BehindDirect Observation of the Wavepacket Bifurcation Due to Nonadiabatic TransitionsNonadiabatic Electron Wavepacket Dynamics in Path-branching RepresentationDynamical Electron Theory for Chemical ReactionsMolecular Electron Dynamics in Laser Fields Readership: Graduate students, professional scientists in theoretical chemistry, quantum chemistry, chemical dynamics, nonadiabatic transition, molecular physics, electron dynamics, and experimentalists in laser chemistry (including ultrafast chemical dynamics), photochemistry, laser control of chemical reactions, and scientists working in physical chemistry and chemical physics in general. Key Features:Presents a new framework of theory for ultrafast chemical reactions based on the nonadiabatic electron wavepacket dynamicsOffers a very powerful yet futuristic methodology to handle the attosecond electron-wavepacket quantum dynamics associated with non-Born-Oppenheimer nuclear pathsDescribes the original and powerful practices to cope with actual molecular systems that have been attained through authors' long-standing studiesKeywords:Electron Dynamics;Laser Chemistry;Nonadiabatic Transitions;Quantum Wave Packet;Ultrafast Chemical Dynamics;Attosecond Dynamics;Control Of Chemical Reactions;Photodynamics;Avoided Crossing;Conical Intersection;Pump-Probe;Photoelectron Spectroscopy;Excited State Chemistry;Semiclassical Theory