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- 内容細目Front Matter Theory. Linear Response Theory Application......R Spectra of H-Bonded Cyclic Dimer......g into Account the Surrounding. U......nal Spectra of Hydrogen-Bonded Systems / Ma...... Trajectory On-the-Fly Molecular ......g Splitting in the Electronic Gro......of Low-Barrier Hydrogen Bonding in Neutral ......rick H Vaccaro Hydrogen-Bonding Interaction......Intramolecular Hydrogen Bonding in Porphyri......ope Effects in Hydrogen Bond Research / Pou......Intramolecular Hydrogen Bonding: Shaping Co......iz, Rui Fausto Hydrogen Bonding from Perspe......termination of Hydrogen Bond Energies / Mau......Diagnostics of Hydrogen Bond Energy and Geometry / Pe...
- 件名Hydrogen bonding Liaisons hydrogène hydrogen bonding.
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- 要約等...s in utilizing hydrogen bonding for constru......lar materials. The first chapter addresses the control of pho......ergy transfer. The second chapter summarizes the formation of n......ous materials. The following two ......ue functions. Other chapters cover the advances in su......d crystals and the versatility of hydrogen bonding in tuning/improving the properties and......d to bring together in a single volume the most important......tive fields of hydrogen bonding strategy fo......lar materials. The book will be a......ers working in the fields of supr......c Chemistry at the Department of ......c Chemistry at the Technical Institute of Physic...
- 内容細目Hydrogen Bonding-Controlled ......nergy Transfer Hydrogen Bonding in Supramol......rous Materials Hydrogen Bonding for the Self-assembly ......harge-assisted Hydrogen Bonded Supramolecular Gelators Hydrogen Bonging for Su......iquid Crystals Hydrogen Bonding for Molecular, Macromolecu...
- 件名Supramolecular chemistry. Hydrogen bonding.
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- 要約等The diamagnetic an...... of ammonium dihydrogen phosphate ADP, potassium dihydrogen phosphate KDP ......s obtained for the purpose of estimating the contribution of a single hydrogen bond to the (Δχ)<FONT SIZE....../FONT> values. The field-induced ......sed to measure the small anisotropies on the order of 10<FO......</FONT> emu/g. The (Δχ)<FONT SIZE......xes]. For KDP, the value was 1.1 ...... [a - c axes]. The measured aniso......as assigned to the individual chemical bonds, the (Δχ)<FONT SIZE......es of a single hydrogen bond being estimated to be 0.7 × 1...
- 参照...ingle Chemical Bonds in the Silicate Tetra......orrelated with the Directions of Chemical Bonds 磁場内溶融結晶化によるナイロン6の配向
- 参照...oscillation On the application of......n extension to the<i>MAGEX</i>pro......sotropy of Ice The Nuclear Magnet......Measurement of the Molecular g Values in H2O and...
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- 内容細目...nts Preface to the fourth edition Preface to the third edition Preface to the second edition Preface to the first edition ......2 Hydrates 1.3 The water molecule 1.3.1 The normal boiling......freezing 1.3.4 The shape of the water molecule and the hydrogen bond 1.4 Hydrates 1......eavy water 1.7 The hydrate toolbo...... H formers 2.4 The size of the guest molecule...... n-Butane 2.5 Other hydrocarbons ......rcaptan 2.8.2 Others 2.9 Hydrogen and helium 2.1......opropane 2.16 Other hydrate forme.......4 Air 2.16.5 Others 2.17 Hydrate.......1 Mixtures of the same type 2.18......ter Content of the Fluid in Equilibrium with Hyd...
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- 要約等Solvent mediators with hydrogen bond-forming abilit......re applied for the construction o......s by combining them with a lipoph......enerally strengthened the response to or......dly suppressed the responses to i......uggesting that hydrogen bonding between the NH<sub>3</sub>......onium ions and the negatively pol......sulfur atom in the P=S group woul......uch responses. The response to se......pecially strengthened in the case of phosph......h a P=O group. The alcoholic solv...... has a similar hydrogen bond-forming abilit......um ions, while the phenolic media......ard histamine. The present result......owed that many hydrogen-bonding solvent mediators hav...
- 参照... Serotonin and the Competitive Adsorption with D...
- 参照On the Enhancement of the Selectivity of......Porphyrin as a Hydrogen-Bonding Ionophore T......ode Based on a Hydrogen Bond Forming Ionophore Application...
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- 内容細目...ts of chemical bonding V. 2. Chemical bonding across the periodic table. v. 1. The physical origin of covalent bonding / Michael W......y, Sason Shaik The NBO view of chemical bonding / Clark R L......Frank Weinhold The EDA perspective of chemical bonding / Gernot Fr......as Bickelhaupt The valence bond perspective of the chemical bond / Sason Shaik,......ppe C. Hiberty The block-localize......ve of chemical bonding / Yirong Mo The conceptual den......ity functional theory perspective of bonding / Frank De ......Paul Geerlings The QTAIM perspect......ve of chemical bonding / Paul Lode......lbert Popelier The experimental density perspect...
- 件名Chemical bonds.
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- 要約等In order to explore the nature of the hydrogen bond, the electron densi......as obtained by the maximum entrop......ction data. In the obtained elect......ribution maps, the contour lines linked the two oxygen ato......> groups and a hydrogen-bonding network was......density due to hydrogen atoms were rec......This figure of hydrogen bonding in KDP is s......UB>), which is the only hydrogen-bonded compound pre......In both cases, the hydrogen atoms are beli......rdered between the two oxygen atoms. The present study shows that the character of the hydrogen bond in crystalline......y MEM, even in the case where heavier atoms such...
- 参照... of Evaluating the Dimensional an......ction study of the ferroelectric ......of potassium dihydrogen phosphate Whol......ffraction data The structure of the ice Ih by neut......ay analysis of the ferroelectric ......ofile fits and the maximum-entrop......ction study of the effects of deuteration on the crystal struct......calculation by the maximum-entrop......re analysis by the maximum-entropy method The electron densi......of potassium dihydrogen phosphate by Fourier synthesis The Influence of the Completeness of the Data Set on the Charge Density Obtained with the Maximum-Entrop......examination of the Electron-Density Distribution...
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- 内容細目...mers, Based on Hydrogen-Bonding Interaction......ased on Crown Ether Recognition S......mers, Based on the Host-Guest Che......clodextrins in the Field of Supra......mers, Based on the Host-Guest Chemistry of Pilla...
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- 要約等The book reviews photosynthetic water oxida......m, focusing on the molecular vibr......cules. Photosynthetic water oxida...... essential for the sustenance of ...... source for synthesizing sugars f......n O2 source in the atmosphere. Wa......takes place at the Mn4CaO5cluster...... light energy. The author addresses the unresolved mec......sms of photosynthetic water oxida...... calculations. The results show t......rotonation and hydrogen-bond structures of ......id residues in the protein play i...... regulation of the electron and p......fer reactions. These findings and the methodology ma...... understanding the molecular mechanism of photos...
- 件名Oxidation-reduction reaction. Photosynthesis.
- 一般注記"Doctoral thesis accepted by Nagoya Univers...
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- 参照... absorption of hydrogenated amorphous ......lms A study of the effects of nit......d annealing on the properties of hydrogenated amorphous ......f annealing on the composition, s......difications of hydrogenated amorphous ......rradiation and thermal annealing ......asma-deposited hydrogenated amorphous ......lms Effects of thermal annealing ......ECVD Amorphous hydrogenated carbon-nitride films prep...
- 出版者（掲載誌）Tokyo : The Japan Society of Applied Phys...
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- 並列タイトル等（連結）Thermal and nuclea......tum effects in the hydrogen bond dynamical symmetrization phas...
- 並列タイトル等Thermal and nuclea......tum effects in the hydrogen bond dynamical symmetrization phas...
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- 内容細目... Spectroscopy: The Virtual Multif......Young Min Rhee Theoretical and Ex......pectroscopy of the Far-Ultraviole......ic Acids Using the Linear Response Theory / Paul Blai......Adina Velcescu Theoretical Calcul......Strong Tool in the Investigation ......Intramolecular Hydrogen Bonds / Poul Erik H......ating Chemical Bond Orientation in......nal Spectra of Hydrogen-Bonded Crystals / M...... of Vibration: The Effect of Low-......conductors and Their Role in Char......ity Functional Theory / Feng Zhan......ity Functional Theoretical Study on Surface-Enha...
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- 要約等The purpose of thi......s to convey to the worldwide scie......ific community the rapid and enth......ss of state-of-the-art quantum ch......upercomputers. The usefulness of ......ls with all of these topics. Fron......ely related to the symposium of the same name held......November 2015. The book's contrib......ed speakers at the symposium but also many other distinguished......emistry around the world.
- 内容細目...ingle Particle Theories Circular ......ctroscopy with the SAC-CI Methodo......tical Response Theory Response Theory and Molecul......Molecules from their Fragments De......ity-Functional Theory for Molecul......ity Functional Theory Toward a Qu......s and Chemical Bonds Molecular Dyn......nal Spectra of Hydrogen-Bonded Systems Nucl......tope Effect on Hydrogen-Bonded Systems with......al Properties: Theory, Methods an......ity Functional Theoretical Studies on Chemical E...
- 件名Quantum chemistry. SCIENCE--Chemistry--Physical & Theoretical. Computer Appl. in Li...