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紙図書
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- 内容細目...tion of Matter and Light 3. Molecular Symmetry and Spectroscopy 4......y 6. Expansion and Transformation......Distortions 8. Spectra of Symmetric Top and Linear Molecules 9. Spectra of Asymmetric ...... Molecules 10. Spectra of Spherical T...... 12. Hyperfine Structure and the Interaction of Molecular Rotation with ......Rotation Group and Irreducible Sp......l Normal Modes and Coriolis Coeff......Trasformations and Perturbation Methods.
- 件名Infrared spectra. Molecular spectroscopy. Molecular theory. Infrared spectra Molecular spectroscopy Molecular theory
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- 内容細目...c Spectroscopy and Dynamics of Complex Molecular Systems / Hyun......ee Theoretical and Experimental Molecular Spectroscopy o......ipid Bilayers, and Polymer Materi......Recognition by Molecular Spectroscopy /......of Strong Intramolecular Hydrogen Bonds......Spanget-Larsen Spectral Simulation fo......n Spectroscopy and DFT Calculatio......K Hore Dynamic and Static Quantum......of Vibrational Spectra of Hydrogen-Bo...... Near-Infrared Spectra: Applications in Physical and Analytical Che......ergaard Intra- and Intermolecular Vibrations of ......Semiconductors and Their Role in ......ge Transport / Andrey Yu Sosorev, Ivan Yu Cherny...
- 件名Molecular spectroscopy. SCIENCE--Chemis...
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- 内容細目Annotation of glycomics MS and MS/MS spectra using the glyc......tool Glycobase and autogGU : reso......ural analysis Handling and conversion of ......quence formats and monosaccharide......terial, plant, and fungal carbohydrate structure databases : da......alyzing glycan structure synthesis with......r Glycobiology and Glycotechnolog......can array data and the GlycoSearc...... determination and validation of ......arbohydrate 3D structure data Glyco3D :......igosaccharides and polysaccharides using molecular dynamics simulations Molecular dynamics simul......s of membrane- and protein-bound ......brane building and simulation Molecular dynamics...
- タイトル標目Methods in molecular biology (Clifton, N.J.) ; 127...
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- 内容細目...ications to IR Spectra of H-Bonded Cy......rmi Resonances and Electrical Anh......ng Vibrational Spectra of Hydrogen-Bo......ory On-the-Fly Molecular Dynamics Appro......ctronic Ground and Excited States...... Zhiwu Yu Intramolecular Hydrogen Bondi......ik Hansen Intramolecular Hydrogen Bondi......ng Conformers' Structure and Stability / Gu......e of Overtones and Combination Mo......ct Observation and Kinetic Mappin......ompeting) Intramolecular Protonation Si......nnan Arunan IR and NMR Spectral Diagnostics o......en Bond Energy and Geometry / Pet......rogen Bondings and Intermolecular Interactions o......n-Bond Network and Hydrophobic Effect / Barbara ...
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- 要約等...al assemblies, and as such appeal......ased material, and (iii) the coex......c conductivity and metamagnetism ......ridged network structure with a strong magnetic intera...
- 内容細目...ed Magnet; 1.2 Molecular Field Theory; ......tal Assemblies and Their Function......2 XRD Patterns and Crystal Structure; 2.3.3 IR Spectra; 2.3.4 Magneti......; 2.3.5 UV-Vis Spectra; 2.3.6 57Fe Mössbauer Spectra; 2.3.7 Photoma......; 2.3.8 UV-Vis Spectra Under the Ligh......ates of High-T and Low-T Forms; 2......2 XRD Patterns and Crystal Structure. 2.4.3 Magneti......Spin-Crossover and Photo-Induced ......ures; 3.3.3 IR Spectra; 3.3.4 Magneti......ence of UV-Vis Spectra; 3.3.6 Photoma....... 3.3.7 UV-Vis Spectra Under the Ligh......Susceptibility and the Electronic......nce of Crystal Structure; 3.4.4 Thermodynamical Proper...
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- 要約等...omethene dyes, and other chiral m......er development and future design of CPL molecule...
- 内容細目...ce in helicene and helicenoid der......ular dichroism and circularly pol......es by covalent and supramolecular methods Structural and electronic inf......n from the CPL spectra: Many questions and some answers f......ules, polymers and molecular aggregates Cir......ence from intramolecular excimers Desig......ers Principles and applications of CPL spectroph...
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- 要約等...l study of the molecular structure of colchicine.......ed intensities and Raman scatteri......ee-Fock method and the Density Fu......the basis set, and the vibrationa......f the infrared and Raman spectra of colchicine ......ues. The FT-IR spectra of colchicine ......n solid phase, and the FT-Raman spectra of colchicine have been taken...
- 件名FT-IR and FT-Raman Spectra Molecular structure P. E. D Colchicine Vibrational spectra
- 参照...ts DFT studies and vibrational spectra of isoquinoline and 8-hydroxyquino......en The crystal structure of colchicine.......thods FT-Raman and FTIR spectra, assignments and ab initio calc......of vibrational spectra, and assignment of ......of succinimide and N-bromosuccini......scopy FT-Raman and FT-IR spectra, vibrational assignments and density functi......ium geometries and transition structures
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- 内容細目...ilibrium PART2 Structure 8 Quantum theo......y:introduction and principles 9 Q......ory:techniques and applications 10 Atomic structure and atomic spectra 11 Molecular structure 12 Molecular symmetry 13 Molecular spectroscopy 1:rotational and vibrational spectra 14 Molecular spectroscopy 2......transitions 15 Molecular spectroscopy 3......pplications 18 Molecular interactions 1......macromolecules and aggregates 20 ......x reactions 24 Molecular reactions dynamics 25 Process...
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- 内容細目...de spin labels and semiquinones F......ncy pulsed EPR and the characterization of molecular dynamics Resolution and characterizati......ow-temperature and time-resolved,......id cryosolvent and frozen solutio......roscopy CW-EPR spectral simulations :......d state CW-EPR spectral simulations :...... multimode EPR spectra of metal conta......eins, enzymes, and biomimetic com......es Mapping the structure of metalloprot......ytochrome P450 and NOS EPR method......al Cu(II) : L-band CW and NARS. Development and application of......, spin probes, and spin labels Si......olecules : why and how? Cu²⁺ as a......obe of protein structure and function Genetically enco...
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- 要約等...hotosynthesis, and addresses the ......ng societal demands for clean and sustainable en...... field of both molecular and materials arti......photosynthesis and related energy processes.
- 内容細目...photocatalytic and photoelectroch......ashi Hisatomi, and Kazunari Domen......deki Hashimoto and Chiasa Uragami......nthesis : from molecular to hybrid nano......sola-Portoles [and 4 others] Enzy......otosynthesis / Andreas Bachmeier,......iritanaratkul, and Fraser A. Arms...... bio-conjugate and bio-hybrid ele......, Artur Braun, and Krisztina Gajd......rid (enzymatic and photocatalytic......a Dibenedetto, and Wojciech Macyk......id P. Serrano, and Juan M. Corona......rbon nanohorn, and graphene / Osamu Ito and Francis D. Sou......ght absorption spectra and high charge se...... / Zeyan Wang [and 6 others] Soft x-ray spectros...
- 件名...hotosynthesis--Molecular aspects. Catalysts.
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- 要約等The excitation and emission spectra of O<SUB>2</SUB><SUP>−</SUP> molecular ions in KI, KBr and KCl crystals h......r the emission spectra with zero-phon......mperature (RT) and are much stron......ther chalcogen molecular ions particula...... On the other hand, we found vibronic structures on the low-en......the excitation spectra of KI and KBr:O<SUB>2</S......B><SUP>−</SUP> molecular ions in the excited state wer...
- 件名alkali halide photoluminescence excitation spectrum vibronic structure molecular ion
- 参照... NdCl3 Optical and Thermal Proper......sitions in S2− and Se2− molecules......the energetics and vibrational pr...... Laser-excited spectra and reorientation ......rmation of S2− and Se2− molecular ions through p......ical reactions and their vibronic......nters Emission Spectra of S2−, Se2−, and SeS− Ions in K......een collective and stimulated eff......alkali halides and other inorgani......eration of O-2 molecular ions in electr......irradiated KBr and KI crystals Ti......cal Absorption and Fluorescence o...... Superradiance and high-gain mirr......n Luminescence and superfluoresce......2−, S2−, Se2−, and SeS− molecules dissolved in a...
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- 内容細目...rks in biology and chemistry : th......g Zou, Yi Han, and Sung-Sau So Ba....../ Frank Burden and Dave Winkler Kohonen and counterpropaga......ed for mapping and interpretation of IR spectra / Marjana Novi......, Dechao Wang, and Andy Revell Neural......r A. Palyulin, and Nikolai S. Zef......redict protein structure and function / Marco Punta and Burkhard Rost ......of information and knowledge from trained neural...
- タイトル標目Methods in molecular biology (Clifton, N.J.) ; v. ...
紙図書
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- 内容細目...imental setups and considerations......c Sarnighausen and Ralf Reski Met......r Horvatovich, and Rainer Bischof......e P. Gelderman and Jan Simak Exos......ter J. Gerber, and Bart N. Lambre......asome subunits and their isoforms...... approaches / Sandrine Uttenweile...... Mikkel Nissum and Robert Wildgru......J.F. Letteboer and Ronald Roepman...... Bernd Müller, and Marius Ueffing......an Preisinger, and Walter Kolch S......y / Mingyue He and Michael J. Tau......s / Mingyue He and Michael J. Tau......rotein/protein and protein/ligand complexes : te......hnical aspects and application to......Identification and characterization of N-glycosy...
- タイトル標目Methods in molecular biology (Clifton, N.J.) ; v. ...
紙図書
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- 内容細目...f the fragment molecular orbital (FMO) ......tri G. Fedorov and Kazuo Kitaura Developments and applications o......n the fragment molecular orbital method......] Combined DFT and electrostatic ......on Quenneville and Alexei A. Stuc......bonds : nature and role in DNA re......Fonseca Guerra and F. Matthias Bi......r in DNA / Alexander A. Voityuk S...... effects on biomolecular dynamics simul......een TIP3P, SPC and SPC/E water mo......g, Pekka Mark, and Lennart Nilsso......rtin Dahlberg, and Aatto Laaksone......mputing the IR spectra of molecules i......tthias Schmitz and Paul Tavan Hig......ng of large ligand databases for rational drug d...
- 件名Biopolymers. Chemistry, Physical -- methods. Polymers. Chemistry, Physical and theoretical.
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- 内容細目...note: 1. Light and Colour 1.1. Colour and Light 1.2. Colour and Energy 1.3. Li......5. Light Waves and Colour 1.6. Bl......Body Radiation and Incandescence 1.7. The Colour of Incandescent Objects ......ons 1.9. Lamps and Lasers 1.9.1. .......9.2. Emission and Absorption of ...... of Absorption and Emission 1.9.5......16. Appearance and Transparency A......nitions, Units and Conversion Fac......ersion Factors and Energy A1.1.2.......with Radiation and Light Further ...... to Refraction and Dispersion 2.1. Refraction and the Refractive......fractive Index and Polarisability......fractive Index and Density 2.5. Invisible Animal...
- 並列タイトル等（連結）Color and the optical properties of mat...
- 並列タイトル等Color and the optical properties of mat...
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- 件名Molecular structure. Quantum theory. Molecular spectra.
- 一般注記.... facing t.p.: Molecular structure and molecular spectra.
- 並列タイトル等（連結）Molecular structure and molecular spectra
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- 内容細目...Research Areas and Members Toshit...... Stabilization and modulation of......of development and applications T......cal absorption and reflection spe......illimeter-wave Spectra of H2Cl+ and its Isotopic Species：Molecular Structure Mitsunori Arak......tors in the UV and Vacuum Ultrav......∥ほか著 Front end and optics of infr......Pring-8：design and commissioning ......ctromicroscopy and magneto-optica......scopy using SR and laser Masao Ka......ge asbsorption Spectra of ⅢーV Nitrides K.Fukui∥ほか著 C...
紙記事
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- 要約等The molecular strucrures of chartarin and its isomers ha......ray-determined structure of elsamicin A......ns of chartarinand the observed s......um.Further,PM3 and COSMO calculat...... the gas phase and in solvents,chartarin is the ...
- 件名chartreusin elsamicin geometrical structure electronic spectrum semiempir...
- 並列タイトル等（連結）Calculations of molecular structures and electronic spectra of chartain and its isomers
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- 件名Materials Chemistry Surfaces, Coatings and Films Physical and Theoretical Chemistry
- 参照...ed by All-Atom Molecular Dynamics Simulation and a Theory of Solutions 中赤外分光法に...
- 参照...d Spectroscopy and Molecular Dynamics Simul......rs Development and testing of a g......ts on Methanol and Water Diffusiv...... ether ketone) and Base Tethered ...... acrylate)s by Molecular Dynamics Simulation and Differential S......urement Understanding the Effect ......s of Amino- or/and Fluorine-Conta......c study on the structure of water in po......e Biomaterials and Organic Foulan......s Evaluated by Molecular Dynamics Simul......-Chain Spacing and Length on Hydr......) Analogues: A Molecular Dynamics Study......drogen-Bonding Structure at Zwitterioni......igurations for molecular dynamics simul......ers Studied by Molecular Dynamics Simulation and a The...
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- 要約等...ically examine structures and absorption spectra for CdS nanopl......knesses of two and three monolayers (2 MLs and 3 MLs) and extended later......d with formate and acetate ligands, are used to ......nded monolayer and the effects of......computed cubic structures using density......tween observed and time-dependent......DFT-calculated spectra, revealing little ligand participation ......ence the color and intensity of l......gy absorption bands as the structures are laterally......ended to eight and seven monolayers for 2-ML and 3-ML systems, ......pectively. The spectral redshift for ......in the lateral and vertical directions.</jats:p>
- 件名Physical and Theoretical Chemistry General Physics and Astronomy