Chemistry for B.Sc. Students - Semester IV: Quantum Mechanics and Analytical Techniques (NEP-UP)

Chemistry for B.Sc. Students - Semester IV: Quantum Mechanics and Analytical Techniques (NEP-UP)
Author: RL Madan
Publisher: S. Chand Publishing
Total Pages: 424
Release:
Genre: Mathematics
ISBN: 9355016999

This textbook has been conceptualized for B.Sc. Fourth Semester students of Chemistry as per the latest curriculum on the directives of NEP 2020 – for the Universities of UP. Maintaining the traditional approach to the subject, this textbook comprehensively covers two papers, namely Theory and Practical Parts. Quantum Mechanics and Analytical Techniques for Theory Part and Instrumental Analysis for Practical Part. The topics covered in the book are Atomic Structure, Elementary Quantum Mechanics, Molecular Spectroscopy (Rotational, Vibrational, Roman and Electronic Spectra), UV-Visible Spectroscopy, Infrared Spectroscopy, 1H —NMR Spectroscopy (PMR), Introduction to Mass Spectrometry, Separation Techniques in the Theory Part. The Practical Part covering Molecular Weight Determination, Spectrophotometry, Spectroscopy, and Chromatographic Separations have been presented systematically to help students in achieving solid conceptional understanding and learn experimental procedures.

Contemporary Quantum Chemistry

Contemporary Quantum Chemistry
Author: J. Goodisman
Publisher: Springer Science & Business Media
Total Pages: 380
Release: 2012-12-06
Genre: Science
ISBN: 1468422685

Some knowledge of the principles of quantum mechanics and how they are applied to theoretical chemistry, it is generally agreed, should be part of the education of all chemists. This instruction in quantum chemistry is either added to the more traditional topics of physical chemistry or given separately; at Syracuse University it forms the third semester of the physical chemistry sequence. While a wide variety of textbooks and monographs on the subject of quantum chemistry exists, the author of the present text found that none of them was satisfactory for his purposes, i. e. , none fit his ideas of what subjects should be discussed and in what way. This book is presented with the hope that others with similar experiences will agree with him and endorse his conclusions. The undergraduate student to whom our attentions are directed is a chemistry major, but probably will not go on to graduate school in physical chemistry. He may take several more chemistry courses as an undergraduate and then seek a position in industry, or perhaps he will do graduate work in organic or inorganic chemistry. (Of course, one never stops hoping that, as a result of this first course, he will decide to learn more quantum chem istry.

Quantum Chemistry

Quantum Chemistry
Author: Ram Kishore Prasad
Publisher:
Total Pages: 569
Release: 1992
Genre: Quantum chemistry
ISBN: 9788122401172

Elements of Quantum Chemistry

Elements of Quantum Chemistry
Author: Rudolf Zahradník
Publisher: Springer Science & Business Media
Total Pages: 461
Release: 2012-12-06
Genre: Science
ISBN: 1461339219

The post-war generation of chemists learned to handle a blow pipe at the university as thoroughly as modern chemistry students learn to write computer programmes. Even after World War II the rule of three was considered to be sufficient mathematical knowledge for chemists and the short course of "higher mathematics" at technical universities was the test most feared by chemistry students. However, even then some en visaged the theoretical derivation of information on the properties of molecules from knowledge of the bonding of the component atoms. During the last quarter of this century, amazing changes have occurred in chemistry, some of them almost incredible. Dirac's famous clairvoyant statement* has been partially realized. Incorporation of quantum mechanics into chemistry encountered numerous difficulties. After all, the reserve of experimental chemists is not surprising. For decades the hydrogen and helium atoms and the hydrogen molecule belonged among the systems most frequently investigated by theoreti cians. Later these systems were supplemented by ethylene and benzene. The authors of this book can therefore recall with understanding the words of the late Professor Lukes: "Well, when they succeed in computing a molecule of some alkaloid by those methods of yours ... ". Unfortunately, the calculations on calycanin were not completed before his death. Now there is no need to convince even the members of the older generation of the usefulness of quantum chemistry for chemists. Even the most conservative were convinced after the introduction of the W ood ward-Hoffmann rules.

Principles of Quantum Chemistry

Principles of Quantum Chemistry
Author: David V. George
Publisher: Elsevier
Total Pages: 284
Release: 2013-10-22
Genre: Science
ISBN: 1483278557

Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems. This book describes chemical bonding and its two specific problems — bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum chemistry; symmetry in chemistry; and molecular-orbital theory are also covered. This publication is recommended for students taking undergraduate and graduate courses in quantum chemistry.

Quantum Chemistry

Quantum Chemistry
Author: Ajit J Thakkar
Publisher: Morgan & Claypool Publishers
Total Pages: 124
Release: 2014-06-01
Genre: Science
ISBN: 1627054170

This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry. The book can be used to teach introductory quantum c

An Introduction To Quantum Chemistry

An Introduction To Quantum Chemistry
Author: Satake & Taguchi
Publisher: Discovery Publishing House
Total Pages: 334
Release: 1996
Genre:
ISBN: 9788171413324

Contents: Introduction, Some Mathematical Concepts, The Classical Theory of Vibrations, Two and Three Dimensions Waves, The Quantum Hypothesis, The Bohr Model and Matter Waves, Particle Waves and Quantum Mechanics, Wave Mechanics of Sum Simple Systems, The Hydrogen Atom, The Helium Atom, Many Electron Atoms.

Quantum Chemistry and Dynamics of Excited States

Quantum Chemistry and Dynamics of Excited States
Author: Leticia González
Publisher: John Wiley & Sons
Total Pages: 688
Release: 2020-11-10
Genre: Science
ISBN: 1119417724

An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.

Quantum Chemistry

Quantum Chemistry
Author: Ira N. Levine
Publisher: Allyn & Bacon
Total Pages: 1246
Release: 1991
Genre: Science
ISBN:

An introduction to quantum chemistry which covers quantum mechanics, atomic structure and molecular electronic structure. All the necessary mathematics is presented alongside the physics and chemistry, and is given sufficient detail to be accessible to those with little mathematical background.