Advances in Molecular Structure ResearchThis volume is the fourth in the series and offers both quality and breadth. As a whole it reflects two increasingly discernible trends in modern structural chemistry. One trend is that parallel to the ever increasing specialization of techniques, there is a strong interaction between the techniques. This interaction crosses the boundaries between various experiments, between the experiments and computations, experiments and theory, and organic and inorganic chemistry. The other trend is the ever increasing penetration of the most modern aspects of structural chemistry the rest of chemistry, making the demarkation of structural chemistry increasingly fuzzy which is the most welcome development from a structural chemist's point of view. |
Contents
| 43 | |
CHAPTER 3 HYDROGEN BONDING SYSTEMS IN ACID METAL SULFATES AND SELENATES | 79 |
CHAPTER 4 A CRYSTALLOGRAPHIC STRUCTURE REFINEMENT APPROACH USING AB INITIO QUALITY ADDITIVE FUZZY DENSITY F... | 115 |
CHAPTER 5 NOVEL INCLUSION COMPOUNDS WITH UREATHIOUREASELENOUREAANION HOST LATTICES | 151 |
CHAPTER 6 ROLES OF ZINC AND MAGNESIUM IONS IN ENZYMES | 227 |
CHAPTER 7 THE ELECTRONIC SPECTRA OF ETHANE AND ETHYLENE | 281 |
POSSIBLE ROLES OF PUTATIVE 23EPOXYOXEPINS AND PROBES FOR THEIR DETECTION | 319 |
CHAPTER 9 SOME RELATIONSHIPS BETWEEN MOLECULAR STRUCTURE AND THERMOCHEMISTRY | 343 |
INDEX | 373 |
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Advances in Molecular Structure Research, Volume 4 Magdolna Hargittai,Istvan Hargittai No preview available - 1998 |
Common terms and phrases
acceptor acid Acta Crystallogr AFDF alkynes anions axis band benzene binding bond angles bond lengths Buenker calculated carbon carboxylate catalyzed cations chains chalcogenates channel Chem Chem Phys Chem Soc Chemistry configuration covalent crystal structure defined density matrix diffraction dimers distances donor double ribbon electron density energy enthalpy of formation enzyme ethane excited experimental fine structure first fluoride functions fuzzy geometry ground-state Hargittai host lattice hydrogen bonding system hydrogen bonds hydroxyl group inclusion compounds infinite influence interactions ionic isomerization kcal/mol Kemnitz kJ mol kJ mol'1 layers LDG(K ligand lines represent hydrogen lone pair macromolecule magnesium magnesium ion metal ion methyl molecular nonbonding oxygen atoms Peyerimhoff proteins quantum radii reaction represent hydrogen bonds selenates shown in Figure species spectra spectrum symmetry Table terminal alkynes tetrahedra thiourea thiourea molecules transition Troyanov urea urea molecules vibrational water molecule wavefunction X-ray zinc ions
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Page vi - Department of Chemistry The Chinese University of Hong Kong Shatin New Territories Hong Kong Weigin Liu Department of Medicinal Chemistry Beijing Medical University Beij ing China Karen L.
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