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- 内容細目...2. THEORIES OF ELECTRONIC STRUCTURE Approximating ......ity Functional Theory Part 3. INSIGH......OM INFORMATION THEORY Elements of Information Theory Schrödinger Eq......om Information Theory Orbital Communication Theory of the Chemica...... FOR MOLECULAR STRUCTURE AND REACTIVITY......upling Between Electronic and Geometrical Structures Qualitative A......2. Theories of electronic structure pt. 3. Insight......om information theory pt. 4. Chemica...... for molecular structure and reactivity.
- 件名Quantum chemistry. Molecular structure.
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- 目次・記事...ience Software Structure and mechanism ......ical chemistry Electronic structure theory
- 要約等...the content is structured in the follow......s design, etc. Electronic Structure Theory covers computa......ity functional theory Simulation Met......s and modeling Structure and Mechanism ......nce, molecular structures and dynamics,......ity functional theory in materials s......orks (didactic structure, high visibili...... searches, and electronic accessibility) with the compl...
- 内容細目...ence volume 2. Electronic structure theory volume 3. Simu......hods volume 4. Structure and mechanism volume 5. Theor...
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国立国会図書館
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- 要約等For large scale electronic structure calculation, the Krylov subsp...
- 件名Krylov subspace large scale electronic structure calculations density matrix t...
- 参照Ten-Million-Atom Electronic Structure Calculations o...... Order-<i>N</i>Theory The Key Indica...... order-<i>N</i>electronic structure theory with generaliz......or large-scale electronic structure calculations with nonorthogon...
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- 要約等...of the order-N electronic structure theory with the Wannier states, rece...
- 参照An order-<i>N</i>electronic structure theory with generaliz......on Large-Scale Electronic Structure Theory
- 参照...ng methods for electronic-structure and molecular ......ity-Functional Theory Dislocation Em......Linear scaling electronic structure methods Transf......nd application Structure of exact Wanni......ng Large-Scale Electronic Structure Calculations Theory of Composite-B......es and Order-N Electronic-Structure Calculations.
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- 内容細目.... Evolution of Electronic Tuners 1.2. Expectations of Electronic Tuners 1.3. Re......s 2.1.2. Basic Structure and Characteri....... Self-Aligned Structure 2.5.3. Package......on Process and Structure 2.6.3. Charact......s 3.1.2. Basic Structure of Band-Switch......ization of the Structure 3.2.3. Approxi......ristics 3.4.1. Structure 3.4.2. Charact......MESFETs 4.1.4. Electronic Tuners and Low......Gate FETs 4.2. Theory of Distortion in the Gain-Con...
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- 要約等...screte surface theory for trivalent ......based on graph theory, provides the most symmetric structure among given combinatorial structures by using the ......roduce crystal structures existing in n......amples. Carbon structures such as fulle......stal/molecular structures, which are essentially discr...
- 内容細目...ograph 2 Graph Theory 2.1 Graph 2.2 ......ses 3.3 Carbon Structures and Standard ...... Curved Carbon Structures 4.1 Carbon Structures as Discrete S...... Curved Carbon Structures via Standard ......ph Spectra and Electronic Properties of Carbon Structures 7.3.1 The Hü......nsity Function Theory 7.4 Eigenvalues of Subdivisio...
- 件名...atical Carbon--Structure--Mathematical ......bon compounds--Structure--Mathematical ......tique Carbone--Structure--Modèles math......ne--Composés--Structure--Modèles mathématiques Géo...
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- 内容細目...hy 1.1 Crystal Structure and Space Latt......ypical Crystal Structures Chapter 2. St......ald Sphere 4.5 Structure Factor 4.6 Bro...... 6.4 Dynamical Theory of Diffraction......es 7.1 General Theory 7.2 Planar Def......M 10.1 General Theory 10.2 Diffraction Contrast in ...
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- 内容細目Atomic structure and quantum me......n theories and electronic structure methods: quant......ity functional theory: from conceptu......chemical bond: electronic structure methods at wor......ation bonding: electronic structure and properties...... bondon: a new theory of electron effective couplin...
- 件名Chemical structure. Quantum chemistry.
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- 内容細目...egral Equation Theory for Liquids; 4.......2 The 3D-RISM Theory; 5.3 Hybrid 3D-RISM and Electronic Structure Theories; 5.4 ...... Against Water Structure3.3 Hydration Energy Calculati...
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- 内容細目...luence of edge structures of graphene o......d Susumu Okada Theory of thermionic electron emissi...
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- 件名Electronic structure Geometric quantum phases Quantum electronics Electronics
- 件名（識別子）Electronic structure Geometric quantum phases Quantum electronics Electronics
- 並列タイトル等（連結）Berry phases in electronic structure theory : electric polarization, orbi...
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- 内容細目...exible organic electronic devices Structural and electronic properties of ......ity functional theory-based calculat......exible organic electronics applications ......exible organic electronic devices Advanc......exible organic electronic systems Roll-t......exible organic electronic materials Inte......exible organic electronic devices In sit......ion of organic electronic materials usin......exible organic electronic materials Opti......exible organic electronic materials Flexible organic electronic devices on met......exible organic electronics : automotive ......exible organic electronic materials Two-terminal organi...
- 件名Organic electronics. Electronics--Materials. Information disp...
- 関連情報Woodhead Publishing series in electronic and optical materials
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- 内容細目Volume 1. Synthesis, structure and bonding of......ysis volume 3. Theory and bonding of inorganic nonm...
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- 要約等...he structural, electronic and optical properties of low...
- 内容細目...ensional Heterostructure Devices 1.1 In......ensional Heterostructures 1.3 Compositi......y/Binary Heterostructures 1.4 Electronic Band Structure Modelling 1.5 ...... Tight Binding Theory 1.5.2 Semiempi...... Tight Binding Theory 1.5.3 Semiempi...... Tight Binding Theory 1.5.4 Semiempi...... Tight Binding Theory 1.6 Density Functional Theory Modelling 1.7 ......ure Effects on Structure and Electronic Properties 1.8......rameters 1.8.2 Electronic Properties 1.9......ow Dimensional Structures 1.9.1 Applica......onductor Heterostructures 2.1 Introduct......re/Shell Heterostructures 2.3 Strain in......e Planar Heterostructures 2.4 Strain in Spherical Core...
- 件名Nanostructured materials Nan......conductors Nanostructured materials. Nanotechnology. S...
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国立国会図書館全国の図書館
- 内容細目Bridging structure, electronic states and ele......effen Duhm ほか著 Structure matter Alexand...... Karatsu 著 DNA electronics and photonics......oretical study Theory of photoelectr......, Kaori Niki 著 Theory of metal-arom ......f conjugated π-electronic carbon walled ......orm chiral nanostructures Takashige Omatsu, Nobuyuki A...
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- 要約等...ature of their electronic band structure. Beginning wit......introduces the electronic band structure of solids and ......lting from the electronic band structure. This book dev......cussion of the electronic band structures using a tight binding approa...
- 内容細目...duction to the Electronic Band Structure of Solids Microscopic Theory of the Dielectric Function Ex...
- 件名Nanostructured materials--Op......properties Nanostructured materials--El......s optiques Nanostructured materials--El......roperties. Nanostructured materials--Optical propertie...
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- 要約等...s based on the electronic structure analyses of ac......activities and electronic properties of ......lustrating how electronic structure analyses can be effectively a...
- 内容細目... 2-1 Molecular Structure 2-2 Chemical Bonds 2-3 Electronic Structures 2-4 Electronic Properties 2-5......ity Functional Theory (DFT) Calculations 3-3 ONIOM ...