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- 要約等This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written b...... FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserve......red the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by u......ng the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized......ll in biophysical and pharmaceutical chemistry. In recent years, the methodological develop...
- 内容細目...Development of an automated FMO calculation protocol to construction of FMO database Application of FMO to ligand design: SBDD, FBDD, and protein-protein interaction Drug Disc......ening by Combination of X-ray Crystal Structure Analysis and FMO Calculation Cooperative study combining X-ray crystal structure analysis and FMO calculation: Interaction analysis of FABP4 inhibitors Application of FMO for protein-ligand binding affinity prediction Recent Advances of In Silico Drug......scovery: Integrated Systems of Informatics and Simulation Pharmaceutical Industry Academia Cooperation Elucidating the efficacy of clinical drugs using FMO...
- NDLCPA47
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- 要約等This book discusses synthesis and characterization of sustainable polymers. T...... opportunities and challenges of using sustainable polymers to replace existing petroleum based feedstock. ...... the chemistry of polymerization, and discusses tailoring the properties of the polymers at the source in......t requirements of specific applications. The book also covers processing of these polymers and their critical assessment. The book will be of use to chemists and engineers in the industry and academia working on sustainable polymers and their commercialization to replace dependence on petroleum-based polymers.
- 内容細目Chapter 1: Synthesis of Biobased Polymers: From Aliphatics to Aromatics Chapter 2: An Environmental Perspective towards Designing of Sustainable Polymers Chapter 3: Biobased Anisotropic Designer Particles Chapter 4: Alternating Copolymers based on Amino Acids and Peptides Chapter 5: Biodegradable Nanocomposite Foam: Processing, Structure and Properties Chapter 6: Synthesis and Characterization of Functional Polylactides Chapter 7: Synthesis of Biocompatible Thermo-Re......ive Polymers Chapter 8: Functionalization of Cellulose and its Derivatives: Processing and Characterization Chapter 9: DSC and WAXS Studies on the Effects...
- LCCTA455.P58
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- 内容細目Machine generated contents note: 1. Basic structural and properties relationship of recyclable microfibrillar composite materials from immiscible plastics blends: An introduction / S. Thomas 1.1. Introduction 1.2. Plastic blends 1.3. Concept of immiscible plastic blends 1.4. Concepts of MFCs 1.5. Mechanical properties of MFCs 1.6. Dynamic mechanical properties of MFCs 1.7. Effect of draw ratio on mechanical properties 1.8. Industrial application of MFCs 1.9. Conc......erences 2. Fundamental of polymer blends and its thermodynamics / G.C. Nayak 2.1. Introduc......ds 2.3. Method of compounding 2.4. Thermodynamic and approaches to the misc...
- NDLCPA431
- 件名Polymeric composites. Composite materials.
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- 要約等"Superconductors is neither about basic aspects of superconductivity nor about its applications, but its main focus is on ......perconducting materials themselves. Unusual and unconventional features of a large variety of novel superconductors are presented and their technological potential as practical superconductors assessed. The presentation is readily accessible to readers from a diverse range of scientific and technical disciplines, such as metallurgy, materials science, materials engineering, electronic and device engineering, and chemistry. The derivation of mathematical formulas and equations has been kept to a minim...
- 内容細目...menology Penetration depth Departing current d......y Shortcomings of the London phe......ology Intermediate state Filamentary superconductors and Mendelssohn's sponge Range of coherence and non-local theory Interface boundary energy Appendix 3A. Electrodynamics of a perfect conductor and London pheno......gy 4. Thermodynamics and general properties. Thermodynamic aspects of the transition Thermal properties Ultrasonic behaviour AC and optical properties Tu......erconducting state Appendix 4A. Condensation energy Entropy Heat capacity 5. Advent of type II superc......rs. Ginzburg--Landau phenomenology Sign of the surface energy and superc...
- 件名Superconductors. Materials science. Supraleiter.
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- 内容細目v. 1. Charge transport in organic semiconductors : a multiscale modeling / Nicolas Martinell ... [et al.] Monte Carlo studies of phase transitions and cooperative motion in Langmuir monolayers with internal dipoles / Chr......er B. George, Mark A. Ratner, and Igal Szleifer Mole......es on gold surfaces : what they do and how they go around to do it / Nadja Sändig and Francesco Zerbetto Conjugated polymer sen......n, principles, and biological applications / Mindy Levine and Timothy M. Swager Chromophoric polyisocyanide Materials / Bram Keereweer ... [et al.] Functional polyphenylenes for supramolecular ordering and applica...
- 件名Molecular electronics. Supramolecular chemistry.
- 著者標目Samorì, Paolo. Cacialli, Franco.
紙図書
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- 内容細目Machine generated contents note: 1.Thermodynamics Of Surface Phehomena 1.1.Surface tension and surface stress 1.1.1.The surfaces of liquids 1.1.2.The surfaces of solids 1.1.3.The anisotropy of the surface tension of solids 1.2.The equilibrium shape of crystals. The Gibbs---......urie principle and Wulff theorem 1.3.The role of surface tension in the formation of a new phase. Nuclei 1.4.Gibbs equation for adsorption of solids Surface-Active Substances 1.5.Surface phase transitions 1.5.1.Long-range order---disorder transition 1.5.2.Phase transitions associated with the reconstruction of the surface 1.5.3.Dislocation mechanism...
- 件名Surfaces (Physics) Surfaces (Technology)
- 著者標目Mamonova, M. V. (Marina Vladimirovna) Prudnikov, V. V. (Vladimir Vasilʹevich) Prudnikova, I. A. (Irina Anatolʹevna)
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- 要約等The interest of member states of the IAEA in introducing radiation technology......to the polymer and plastics industry ......ng. This publication summarizes a number of studies conducted in the framework of a coordinated research project (CR......on controlling of degradation effects on polymers by radiation processing......es. It reviews a variety of applications and details the most important results and achievements of the participating centres and laboratories during the course of the CRP. The publication is intended to be of use to scienti......the technology and managers of radiation processing facilities. -- Publisher's descr...
- 内容細目Effects of ionizing radiation on commercial food packaging / E.A.B Moura ... [et al.] Application of positron annihilation (PA) methods, toge......with conventional ones, to study the structural changes in some environmentally friendly po......upon ionising radiation / M.A. Misheva Analysis of plasma treated metallized polymers and conventional polymers modified by various techniques / A. Macková Controlling of degradation effects in radiation processing of polymers / E.A. Hegazy ... [et al.] Effect of radiation on ultra high molecular weight polyet......k Kim, Young Chang Nho Modification of microstructures and physical ...
- NDLCA163
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- 内容細目Development of high power, frequency tunable,submillimeter wave sources -gyr......U series T.Idehara∥ほか著 Preface T.Idehara Research Areas and Members Toshitaka Idehara Reseach activities List of Publication Computer Simulation of Axis-encirdling Beams generated by Electron gun with Permanent Magnet System S.Sabchevski Design of a Large orbit gyrotron with a permanent magnet system S.Sabchevski∥ほか著 Stabilization and modulation of the output power of submillimeter wave gyrotron I.Ogawa∥ほか著 Design of Weakly Relativistic Large Orbit Gyrotron With Permanent Magnet System Gyr......ries current status of development and applica...
- 著者標目IDEHARA,T IDEHARA,TOSHITAKA SABCHEVSKI,S OGAWA,I BRATMAN,V.L. HORI,T K......KONDO,SHINICHI ARAKI,Mitsunori FUKUI,K MOTOGAITO,A KINOSHITA,TOYOHIKO KIMURA,S KIMURA,H MASAO, KAMADA OKAMURA,H
紙図書
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- 内容細目Organic molecular beam deposition : ......the first monolayer / F. Schrei......nic properties of interfaces between model organic semiconductors and metals / M. Knupfer......t Kelvin probe study of band bending at organic semiconductor/metal interfaces : examination of Fermi level alignment / H. Ishii, N. Hayashi, E. Ito, Y. Washizu, K. Sugi, Y. Kimura, M. Niwano, O. Ouchi, K. Seki Thermal and structural properties of the organic semiconductor Alq3 and characterization of its excited electronic triplet state / M. Cölle, Wolfgang Brütting Ultrafast photophysics in conjugated polymers / G. Lanzani, G. Cerullo, D. Polli, A. G...
- 件名Organic semiconductors.
- 著者標目Brütting, Wolfgang.
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- 内容細目...野中郁次郎 ほか述 February 5, 2004 Super scaled CMOS and some aspects of nanowires/nanotubes Y.Nishi 述 Carbon nanotube growth by PECVD and applications M.Meyyappan 述 Kinetics of carbon nanotube nucleation and growth O.A.Louchev 述 February 6, 2004 Formation of size-controlled silicon nano-crystallites in silane plasma M.Kondo ほか述 The growth of oxide nanostructures by pulsed laser deposition M.Lippmaa 述 Low-pressure plasma synthesis of crystalline silicon nanoparticles for nov......evices U.Kortshagen ほか述 Interdisciplinary nano-technology of bottom-up and top-down for DNA and bio-electronics H.Tabata ほか述 Microplasma nano-processi...
- 典拠情報（件名/「を見よ」参照）プラズマ物理学 超微細加工技術 Plasma (Ionized gases) Nanotechnology
- 典拠情報（Author Heading/「を見よ」参照）...薄膜表面物理分科会 Optical Society of Japan, Japan Society of Applied Physics Japan Society of Applied Physics JSAP Microoptics Group, JSAP 応用物理学会微小光学研究会
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- 内容細目On the evaporation of raindrops in a sub‐cloud layer The downdraft in convectiv......nder the vertical wind shear and its significance for the maintenance of convective sys...... Solid precipitation in supercooled cloud : Part 1 Freezing of a supercooled water drop due to the collision of ice crystals The effects of the time lag in the activation of atmospheric ice ...... on the number of ice crystals in cloud Solid precipitation in supercooled cloud : Part 2 Growth of a solid precipitation particle Numerical simulation of precipitating convective......loud : The formation of a“long‐lasting”cloud Numerical experiment on convective clo...
- NACSIS書誌ID（NCID）BA51916443
- 著者標目（識別子）DA01586842 https://ci.nii.ac.jp/author/DA01586842#entity https://viaf.org/viaf/sourceID/NII%7CDA01586842
デジタル記事
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- 件名Condensed Matter Physics
- 参照Effect of Cu intercalation and pressure on excitonic interaction in <mml:math xmlns:mml="h......w.w3.org/1998/Math/MathML"><mml:mrow......:msub><mml:mi mathvariant="normal">e</mml:mi><m......ml:mrow></mml:math> Intermediate-valence icosahedral Au-Al-Yb quasicrystal Realization of Negative Thermal Expansion in Lead-Free Bi<sub>0......he Suppression of Tetragonality Melting of Pb Charge Glass and Simultaneous Pb–Cr Charge Transfer in PbCrO<sub>3</sub> as the Origin of Volume Collapse Thermal expansion of a Au−Al−Yb intermediate valence quasicrystal Displacement of hydrogen posit...... in di-hydride of V-Ti-Cr solid solution alloys...
- 出版者（掲載誌）Informa UK Limited
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- 内容細目An overview of synchrotron radiation research / Herman Winick and S. Doniach Properties of synchrotron radiation / Herman Winick Synchrotron radiation sources, research facilities, and instrumentation / Herman Winick Inner-......hreshold spectra / Frederick C.......n spectrometry of atoms and molecules / Manfred O. Krause Photoemission as a tool to study solids and surfaces / I. Lindau and W.E. Spicer Microlithography with soft x rays / Andrew R. Neureuther Soft x-ray microscopy of biological specimens / J. Kirz and D. Sayre Synchrotron radiation as a modulated source for ......nce lifetime measurements and for time-resolve...
- NACSIS書誌ID（NCID）BA11404435
- 件名Synchrotron radiation.
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- 件名Crystallography. Cristalografia De Raios X. Cristalografia.
- 並列タイトル等（連結）Crystal-structure, A study of.
- 並列タイトル等Crystal-structure, A study of.
紙図書
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- 件名Crystallography. Cristalografia De Raios X. Cristalografia.
- 並列タイトル等（連結）Crystal-structure, A study of.
- 並列タイトル等Crystal-structure, A study of.
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- NACSIS書誌ID（NCID）BA62231345
- 一般注記Originally published: New York ; London : McGraw-Hill Book , 1934
- 関連情報International series in physics
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- NACSIS書誌ID（NCID）BA26872346
- 件名Crystallography
- 件名（識別子）Crystallography
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