عنوان

Structural chemistry :

شابک

3319558757

شابک

9783319558752

شابک اشتباه

3319558730

شابک اشتباه

9783319558738

عنوان اصلي

Structural chemistry :

نام عام مواد

[Book]

ساير اطلاعات عنواني

principles, methods, and case studies /

نام نخستين پديدآور

Mihai V. Putz, Fanica Cimpoesu, Marilena Ferbinteanu.

محل نشرو پخش و غیره

Cham, Switzerland :

نام ناشر، پخش کننده و غيره

Springer,

تاریخ نشرو بخش و غیره

2018.

نام خاص و کميت اثر

1 online resource (xxx, 802 pages) :

ساير جزييات

illustrations (some color)

متن يادداشت

Includes bibliographical references and index.

متن يادداشت

Intro; Foreword I; Foreword II; Preface; Acknowledgements; Contents; About the Authors; 1 Atomic Structure and Quantum Mechanics; Abstract; 1.1 The Long Road from Democritus to Bohr; 1.1.1 Arcadian Antiquity; 1.1.2 Along the Centuries, to the Positivist Era; 1.1.3 Bohr's Atomic Model: Natura Facit Saltus!; 1.2 The Dawn of Quantum Theory and the Founding Fathers; 1.2.1 The Revolutionary Milieu and Quantum Mechanics; 1.2.2 Modus Operandi: Waves and Operators; 1.2.3 The Schrödinger Equation and Schrödinger's Cat; 1.2.4 The Heisenberg Equations: Uncertainty and Matrix Mechanics.

متن يادداشت

1.2.5 Hamiltonian Matrices, Non-orthogonal Bases, Variational Methods1.3 Atomic Shell Structure and the Spherical Harmonics; 1.3.1 Atomic Orbitals and Quantum Numbers: The Radial-Angular Factorization of the Atomic Wave Functions; 1.3.2 Intuitive Primer on the Pattern of Atomic Orbitals; 1.3.3 Toward Setting the Schrödinger Equation in Atoms; 1.3.4 The Schrödinger Equation for the One-Electron Atom: The Radial Part; 1.3.5 A Qualitative Analysis of the Radial Nodal Structure of the Atomic Orbitals; 1.3.6 The Complete Analytic Formulas of the Atomic Orbitals; 1.3.7 A Philosophical Divagation.

متن يادداشت

1.4 Elements of Relativistic Quantum Mechanics1.4.1 The Electronic Spin, the Missing Link Between Atomic Shell Scheme and Chemical Systematics from the Periodic Table of Elements; 1.4.2 First Principles of Relativistic Quantum Mechanics: Klein-Gordon and Dirac Equations; 1.4.3 The Quantum Numbers of Dirac Relativistic Equations; 1.4.4 The Two Quantum Worlds of Dirac Equations: Small and Large Spinor Components; 1.4.5 Toward the Relativistic Atom: Electromagnetism Instead of Electrostatics.

متن يادداشت

1.7 Free and Observed Quantum Evolution: Extended Heisenberg Uncertainly Relationship (HUR) by Path Integrals1.7.1 HUR by Periodic Paths; 1.7.2 Wave-Particle Ratio Function; 1.7.3 Extended HUR; 1.8 Conclusions; References; 2 Wave Function Theories and Electronic Structure Methods: Quantum Chemistry, from Atoms to Molecules; Abstract; 2.1 Poly-electronic Wave Functions from Spin-Orbitals; 2.1.1 Indiscernible Electrons and Anti-symmetric Wave Functions with Slater Determinants; 2.1.2 Matrix Elements in a Basis of Slater Determinants: The Slater Rules.

بدون عنوان

0

بدون عنوان

8

بدون عنوان

8

بدون عنوان

8

متن يادداشت

This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the underlying mechanisms of observed phenomena, and at the same time provides theoreticians with explanations of the principles and techniques that are important in property design. Themes covered include conceptual and applied wave functions and density functional theory (DFT) methods, electronegativity and hard and soft (Lewis) acid and base (HSAB) concepts, hybridization and aromaticity, molecular magnetism, spin transition and thermochromism. Offering insights into designing new properties in advanced functional materials, it is a valuable resource for undergraduates of physical chemistry, cluster chemistry and structure/reactivity courses as well as graduates and researchers in the fields of physical chemistry, chemical modeling and functional materials.

منبع سفارش / آدرس اشتراک

Springer Nature

شماره انبار

com.springer.onix.9783319558752

شماره استاندارد بين المللي کتاب و موسيقي

9783319558738

موضوع مستند نشده

Chemical structure.

موضوع مستند نشده

Quantum chemistry.

موضوع مستند نشده

Physical Chemistry.

موضوع مستند نشده

Chemical structure.

موضوع مستند نشده

Materials science.

موضوع مستند نشده

Physical chemistry.

موضوع مستند نشده

Quantum & theoretical chemistry.

موضوع مستند نشده

Quantum chemistry.

موضوع مستند نشده

SCIENCE-- Chemistry-- Physical & Theoretical.

موضوع مستند نشده

PNRP

موضوع مستند نشده

SCI-- 013050

شماره

ويراست

شماره رده

مستند نام اشخاص تاييد نشده

Putz, Mihai V.

مستند نام اشخاص تاييد نشده

Cimpoesu, Fanica

مستند نام اشخاص تاييد نشده

Ferbinteanu, Marilena

تاريخ عمليات

20200823101821.0

قواعد فهرست نويسي ( بخش توصيفي )

pn

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y