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Molecules structures

Two different all-aromatic crowns have been reported ". In 1975, de Jong, Siegel and Cram reported the synthesis of a tri-binaphthyl system in which each oxygen was bound to a naphthalene ring, but aliphatic bridges were used to join the binaphthyl units. Relatives of this compound are discussed further in Sect. 3.13. The synthesis of this molecule (Structure 17, below) was not simple, but was relatively straightforward. An interesting feature of it was the use of ethyl chloroacetate followed by LAH reduction to attach ethyleneoxy units to the naphthol unit. [Pg.44]

Molecule specifications can be entered by hand or be converted from the output of a graphics program. We ll perform a simple conversion here, converting the water molecule structure saved in Brookhaven Protein Data Bank (PDB) format. The file water. pdb in the quick subdirectory contains a PDB format structure for water. [Pg.325]

We ll look at a simple example of the latter method here, converting the water molecule structure saved in Brookhaven Protein Data Bank (PDB) format. [Pg.333]

Empirical formula — simplest ratio of atoms in a molecule Molecular formula — actual number of atoms in a molecule Structural formula — shows the order of atom linkage... [Pg.50]

It is my opinion that this approach has considerable merit, provided that the questions posed in the problems are wisely selected, as indeed they are in this text. The authors themselves are well versed in natural-product chemistry, an area that presents a wide array of small molecule structural problems. They are therefore concerned that the reader reach the practical goal of applying the full power of NMR spectroscopy to problems of this type. To this end they have selected problems that address methods for solving structures as well as those that pertain to basic theory. The authors have wisely made a point of treating the more widely used ID and 2D experiments in considerable detail. Nevertheless, they also introduce the reader to many of the less common techniques. [Pg.435]

Molecule structures as dehned in Eig. 10. " The asymmetric carbon at the chiral center. [Pg.295]

Bioavailability is defined as the portion or fraction of a chemical that is available for biological action and is influenced by several factors including the molecular size and charge of a molecule, structural features of membranes, first pass metabolism, and therefore, bio availability can be influenced by the molecular structure of a chemical. This situation presents an opportunity for molecular designers to manipulate a chemical s structure to decrease bioavailability and consequently hazard. If the availability of a molecule can be decreased, the amount of chemical at the site of action is decreased which leads to decreased toxicity. [Pg.35]

Alterations in target molecule structure Use of partial structure... [Pg.637]

When the variation of any colligative property of a surfactant in aqueous solution is examined, two types of behavior are apparent. At low concentrations, properties approximate those to be expected from ideal behavior. However, at a concentration value that is characteristic for a given surfactant system (critical micelle concentration, CMC), an abrupt deviation from such behavior is observed. At concentrations above the CMC, molecular aggregates called micelles are formed. By increasing the concentration of the surfactant, depending on the chemical and physical nature of the molecule, structural changes to a more... [Pg.256]

Within a chemical series of substrate molecules, structural perturbations will affect the value of kc JKM by different amounts, depending on the impact of the structural perturbation on the energy barrier to attainment of the transition state. If a... [Pg.203]

Two-dimensional (2D) NMR is irrefutably the cornerstone of modem structure elucidation methods.1 Despite the inherently low sensitivity of NMR compared to other forms of analytical spectroscopy such as mass spectrometry and vibrational spectroscopy, NMR methods provide the means of establishing atom-to-atom connectivities that cannot be established by other methods. Supplemented by accurate mass measurements and fragmentation pathway information, NMR data can facilitate the elucidation of most small molecule structures. [Pg.217]

The presence in molluscs of molecules structurally related to typical dietary metabolites could be ascribed either to selective accumulation of minor compounds acquired through the diet, or to an in vivo chemical transformation of major metabolites acquired from the prey. However, all reports on this topic have to be carefully evaluated before drawing hurried conclusions. In particular, interaction among molecules from different organs could favor formation of artifacts when the secondary metabolites are extracted from the whole mollusc and not from individual dissected tissues. Only some cases, where the ability of the molluscs to modify dietary metabolites seems to be well supported, are reported in this chapter. [Pg.108]

I. Matching methods They create a model of the active site and then attempt to dock a given molecule structure by matching its geometry to that of the active site. [Pg.202]

Group 2 complexes are formally electron deficient and conformationally floppy only small energies (often only 1-2 kcal mol-1) are required to alter their geometries by large amounts (e.g., bond angles by 20° or more). In such cases, the inclusion of electron-correlation effects becomes critical to an accurate description of the molecules structures. Both HF/MP2 and density functional theory (DFT) methods have been applied to organoalkaline earth compounds. DFT approaches, which implicitly incorporate electron correlation in a computationally efficient form, are generally the more widely used. Molecular orbital calculations that successfully reproduce bent... [Pg.137]

Electron-transfer reaction, free radical chain processes in aliphatic systems involving an, 23, 271 Electron-transfer reactions, in organic chemistry, 18,79 Electronically excited molecules, structure of, 1, 365... [Pg.337]

Exchange reactions, hydrogen isotope, of organic compounds in liquid ammonia, 1, 156 Exchange reactions, oxygen isotope, of organic compounds, 2, 123 Excited complexes, chemistry of, 19,1 Excited molecules, structure of electronically, 3, 365... [Pg.337]


See other pages where Molecules structures is mentioned: [Pg.15]    [Pg.259]    [Pg.178]    [Pg.821]    [Pg.296]    [Pg.37]    [Pg.88]    [Pg.553]    [Pg.210]    [Pg.223]    [Pg.446]    [Pg.449]    [Pg.290]    [Pg.4]    [Pg.32]    [Pg.114]    [Pg.427]    [Pg.277]    [Pg.439]    [Pg.100]    [Pg.144]    [Pg.242]    [Pg.3]    [Pg.50]    [Pg.152]    [Pg.254]    [Pg.447]    [Pg.298]   
See also in sourсe #XX -- [ Pg.17 , Pg.23 ]




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3D Molecule Representation of Structures

Antibodies, large molecule drug structure

Application of NMR to structure confirmation in some drug molecules

Atoms in molecules and structural formulae

Axon guidance molecules structure

Benzene centers, starburst glass molecule structure

Bilayered structures self-assembled molecules

Biological molecule structural characterization

Biological molecules and structures

Bond-line structures complex molecules

Bonds and the Structure of Molecules

Bromine molecule crystal structure

Cage molecules, structural chemistry

Cage molecules, structure

Chain structures molecules

Chemical Structure of the Permeant Molecule

Chemisorbed molecules structures

Chiral recognition molecule chemical structures

Chlorin molecules, structures

Chlorine molecule crystal structure

Comparing Energies of Structurally Different Molecules

Configuration Spaces for Molecules with Several Symmetrical Reference Structures

Conjugated molecules, electronic structure

Crystal structures of molecules

Crystal structures, molecules

D Structures of Molecules

DETERMINING THE STRUCTURE OF ORGANIC MOLECULES

Depicting Molecules and Ions with Lewis Structures

Diatomic molecules electronic structure

Diatomic molecules geometrical structure

Diatomic molecules structure

Drug molecules structure

Dye molecules, zeolite L channels structural properties

ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES

Electron Dot Structures for Molecules

Electronic Structure of Atoms and Molecules

Electronic Structure of Conjugated Molecules

Electronic Structure of Organic Molecules

Electronic Structure of Organic Semiconductors Small Molecules

Electronic Structure of Small Molecules

Electronic structure of complex molecules

Electronic structures of molecules

Electronically excited molecules, structure

Equilibrium structures of polyatomic organic molecules

Evolution of Electronic Structure from Single Molecule to Molecular Solid

Excited molecules, structure of electronically

Flexible molecules, structure determination

Fluorine molecule crystal structure

Force field methods structurally different molecules

H. Stoll, Electronic structure calculations for molecules containing lanthanide atoms

Helical chains/molecules/structures

Heterocyclic molecules, structure

Hydrogen molecule Lewis structure

Hydrogen molecule crystal structure

Hydrogen molecule molecular structure

Internal Water Molecules as Integral Part of Protein Structures

Iodine molecule crystal structure

Lattice structure molecules

Lewis Structures of Molecules with Multiple Bonds

Lewis structure electron-deficient molecules

Lewis structure molecules with multiple bonds

Lewis structure molecules with single bonds

Lewis structures and the shapes of molecules

Linear molecule structure

Mass Spectra Structural Determination of Simple Molecules

Mobility and Form of Molecules in Relation to Lattice Structure

Model molecules, structures

Molecular Structure Molecules with Double Bonds

Molecular structure The three-dimensional arrangement of atoms in a molecule

Molecular structure Trigonal planar molecules

Molecular structure diatomic molecule

Molecular structure molecules Hybridization Isomers

Molecular structure of the myosin molecule

Molecular structure polar molecules

Molecule Kekule structures

Molecule Lewis structures

Molecule Representation of Structures

Molecule Representation of Structures Based on Electron Diffraction

Molecule condensed structures

Molecule electron-dot structures

Molecule line-bond structures

Molecule multiple bonds, Lewis structure

Molecule packing structure

Molecule simple, Lewis structure

Molecule skeletal structures

Molecule small, structured spectrum

Molecule-superconductor structures

Molecule/molecular unit structure

Molecules Lewis structures for

Molecules common structures/geometries

Molecules electronic structure, application

Molecules skeleton structure

Molecules structural similarity

Molecules structure and properties

Molecules structure, QSAR modeling

Molecules structure, QSAR modeling molecular descriptors

Molecules structure, QSAR modeling properties

Molecules structure, QSAR modeling statistical methods

Molecules structure, QSAR modeling validation

Molecules structure, spectrometric determination

Molecules structured

Molecules three-dimensional structure

Molecules, congested structures

Molecules, coupling structure

Molecules, electronic structures

Molecules, properties structural principles

Molecules, stereospecific structures

Molecules, structural descriptors

Nitrogen molecule crystal structure

Nitrogen molecule, electronic Structure

Noncovalent Interactions That Determine the Structure of a Protein Molecule in Water

Nucleic acids Large molecules composed structure

Octahedral molecule structure

Optimizing the Structures of Molecules

Organic molecules condensed structures

Organic molecules drawing structures

Organic molecules skeletal structures

Organic molecules, structure

Organometallic molecules, electronic structure

Oxadiazoles molecular glass structure, twin molecules

Oxygen molecule Lewis structure

Oxygen molecule crystal structure

PAMPA 50 Model Lipid Systems Demonstrated with 32 Structurally Unrelated Drug Molecules

Polyatomic molecule equilibrium structure

Polyatomic molecules electronic structure

Polyatomic molecules, vibronic structures

Polymer molecule, number structural units

Porphyrins molecules, structures

Probe molecule structures

Procollagen molecule structure

Protein molecules, tertiary structure

Related molecules, structural relationships

Related molecules, structural relationships among

Resonance Equivalent Lewis Structures for the Same Molecule

Resonance structures precursor molecules

Resonance theory, electronic structure molecules

Resorcinarene molecules structures

Ring compounds fused bicyclic molecules, structure

STRUCTURE OF THE TARGET MOLECULE

Search for Structurally Similar Molecules

Self-organized supramolecular structures organic molecules

Semiconductor molecule, structural motif

Significance of Small Molecule Crystal Structural Studies

Similarity of Small Molecules Based on Three-Dimensional Structure

Small Molecules Induce and Promote the Stability of i-Motif Structure

Small Molecules that Induce and Stabilize Z-DNA Structures

Small molecule complexes crystal structures

Small molecule crystal structures

Small-molecule compounds structural properties

Small-molecule crystal structures, data

Small-molecule crystal structures, data sources

Solving the Structures of Organic Molecules

Spiro molecules structure and properties

Stilbene-like molecules tetrahedral structure

Structural Features of SP Molecules

Structural Formulas of Molecules

Structural Shape of Polymer Molecules

Structural formulas of organic molecules

Structural formulas organic molecules

Structural molecules

Structural molecules

Structural properties of molecules

Structural relaxation time many-molecule dynamics

Structural studies, lead compounds molecules

Structural trends within molecules

Structure and Bonding in Organic Molecules

Structure and Properties of Organic Molecules

Structure and Shape of Molecules

Structure calculations polyatomic molecules

Structure determination of small molecules

Structure formation molecules organization

Structure gas-phase molecules

Structure geometry of small molecules

Structure half- and quarter-molecules

Structure of Liquids Containing Elongated Molecules

Structure of Long Molecules

Structure of Van der Waals Molecules

Structure of polymer molecules

Structure of simple molecules

Structure of the Water Molecule

Structure prediction flexible molecules

Structure, of a molecule

Structure-activity relationships small molecule drug

Structured molecules, classical mechanics

Structures Analysis of Molecules

Structures Involving Polyatomic Molecules and Ions

Structures and Formulas of Organic Molecules

Structures matrix molecule, interaction

Structures of Molecules Having Single Bonds

Structures of Molecules with Multiple Bonds

Structures of Organic Molecules

Structures of hydrogen-containing molecules

Structures of molecules

Supramolecular structures self-assembled lyotropic molecules

Supramolecular structures self-assembled molecules, chirality

Target molecule, structural assessment

Target molecules structures

Tertiary structure of protein molecules

Tetrahedral molecule structure

The Electronic Structure of Polyatomic Molecules

The Lewis Structures of Molecules, Cations and Anions, Including Oxyanions

The Problems of Measuring Hydrogen-Bond Lengths and Angles in Small Molecule Crystal Structures

The Structural Complexity of Organic Molecules

The Structure and Reactivity of Molecules

The Structure of Aromatic Molecules

The Structure of Matter Atoms and Molecules

The Structure of Molecules

The Structure of Single Molecules

The Structure of Typical Homopolar Molecules

The Structures of Organic Molecules

The Three-Dimensional Structure of Protein Molecules in Aqueous Solution

The hyperfine structures of molecules

The structures of polyatomic molecules

The structures of simple molecules

Thermal energies and the structures of molecules

Thermotropic liquid-crystal-forming molecules, structure

Three-Dimensional Structures of Molecules

Three-dimensional structures Bchl b molecules

Titanate molecule structures

Tools for Searching Two-Dimensional Chemical Structures of Small Molecules

Toxin molecule, probable structure

Triarylamine centers, starburst glass molecule structure

Trigonal bipyramid molecule structure

Trigonal planar molecule structure

Twin molecules molecular glass structure

Twin molecules organic light emitting diode structure

UV Spectra and the Structure of Organic Molecules

WATER MOLECULES FORM AN OPEN CRYSTALLINE STRUCTURE IN ICE

Water molecules crystal structure

Water molecules structures

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