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Structural derivation

Upon ionization, the number of electrons in a molecule may change. For example, El causes the loss of a valence electron from a neutral molecule (see Chapter 2). Because neutral molecules contain even numbers of electrons, El produces odd-electron ions from neutral molecules. The odd-electron ions, denoted by M+, are radical cations. The dot symbol indicates the presence of an unpaired electron. In contrast to the radical cations, electron capture ionization produces radical anions, denoted by M . M+ and M are generally known as molecular ions. [Pg.240]

In addition to molecular ions which contain an odd number of electron, ions may also contain even numbers of electrons. Even-electron ions are typically produced from molecular ions by the decomposition of a radical, such as a hydrogen radical (H ). Examples of reaction mechanisms producing even-electron ions are the generation of primary ions and [Pg.240]

Some structural information about molecules is embedded in the empirical formula derived from accurate mass. Typical saturated organic molecules have simple atomic compositions, such as C Yi2x+2 in the case of hydrocarbons and QH2 +20j, (where y 2jc -b 2) in the case of alcohols with linear hydrocarbon chains. There exist a few basic principles which facilitate structural derivation of other types of compounds. [Pg.241]


Goldstein A N 1996 The melting of silicon nanocrystals submicrometre thin-film structures derived from nanocrystal precursors Appi. Phys. A 62 33... [Pg.2922]

In molecular mechanics and molecular dynamics studies of proteins, assig-ment of standard, non-dynamical ionization states of protein titratable groups is a common practice. This assumption seems to be well justified because proton exchange times between protein and solution usually far exceed the time range of the MD simulations. We investigated to what extent the assumed protonation state of a protein influences its molecular dynamics trajectory, and how often our titration algorithm predicted ionization states identical to those imposed on the groups, when applied to a set of structures derived from a molecular dynamics trajectory [34]. As a model we took the bovine... [Pg.188]

Jernigdji R L and I Bahar 1996. Structure-derived Potentials and Protein Simulations. Current Opinu Structural Biology 6 195-209. [Pg.575]

BurJ81 Burdett, J. K., McLarnan, T. J. A study of the arsenic, black phosphorus and other structures derived from rock salt by bond-breaking processes. I. Structural enumeration. J. Chem. Phys. 75 (1981) 5764-5773. [Pg.138]

Fig. 21. Crystal structure of the Valinomycin-K+ complex. Reproduced with permission from Ref.100). This crystal structure confirmed within tenths of an Angstrom the structure derived previously in solution 97 98) and by means of conformational energy calculations... Fig. 21. Crystal structure of the Valinomycin-K+ complex. Reproduced with permission from Ref.100). This crystal structure confirmed within tenths of an Angstrom the structure derived previously in solution 97 98) and by means of conformational energy calculations...
In certain cases, the Lewis structure does not adequately describe the properties of the ion or molecule that it represents. Consider for example, the S02 structure derived in Example 7.2. This structure implies that there are two different kinds of sulfur-to-oxygen bonds in S02. One of these appears to be a single bond, the other a double bond. Yet experiment shows that there is only one kind of bond in the molecule. [Pg.170]

The cytoplasmic domain of the Ca -ATPase of rabbit sarcoplasmic reticulum is very similar to the structure derived from Fourier-Bessel reconstructions of the Ca -ATPase tubules of scallop sarcoplasmic reticulum [176]. [Pg.71]

In the search for new anti-inflammatory drugs structurally derived from indomethacine [147], Pravadoline showed psychotropic side effects in clinical trials. It became apparent that these effects are mediated through the cannabinoid receptor. Optimization of the structure Anally led to WIN-55,212-2 (8.6), which has a higher affinity to the CBl receptor than THC [148]... [Pg.34]

Structures Derived of Body-centered Cubic Packing (CsCl Type)... [Pg.160]

This structure derives from the formula, (MeSiHNH)g>3g(MeSiHNMe)Q g (MeSlN)g>57 established by both NMR and combustion analysis. [Pg.133]

In addition to the large number of silicate crystals, the Si04 tetrahedra are the basis of many glasses in which the structure derives from that of the liquid state. These structures have short-range but not long-range order. [Pg.144]

Formally there are several possible two-bridgehead nitrogen atoms containing structures derived from 192-194. Compounds of general formula... [Pg.190]

This structure shows the four nitrogen atoms that provide the electron pairs for forming bonds to metals. The chlorophylls consist of several members of a series, three of which are chlorophyll a, c, and d, which have structures derived from a molecule known as chlorin that is shown in Figure 22.17. [Pg.805]


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See also in sourсe #XX -- [ Pg.240 , Pg.241 ]




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1.3- Diketones, metal derivatives structure

2-phenyl derivatives, dimers structure

Acetic acid derivatives structure

Acetylacetone, metal derivatives structure

Alkenes derivatives, five-membered ring structure

Alkynes : derivatives structure

Amine derivatives structures

Benzene derivatives structural formulae

Benzene derivatives structure

Benzodiazepine derivates, ring structure

Bicyclo- -nonane derivative structures

Bicyclopropyl derivatives, structure

Bile acid derivatives crystal structures

Bile acid derivatives molecular structure

Biphenyl derivatives structures

Carbide-derived carbon structure

Carbon derivatives, structural

Carboxylic acid derivatives resonance structures

Carboxylic acid derivatives structure

Carboxylic acid derivatives structure and bonding

Carboxylic acids glucose-derived structures

Carboxylic acids, functional derivatives structure

Cellulose derivatives, crystalline structure

Charge-transporting polymers structural derivation

Chemical space derived from structural

Chiral derivatives carbanion structure

Chiral fullerene derivatives structures

Cholic acid derivatives, structures

Chromium complex compounds, with biguanide and its derivatives, structure

Chrysanthemic acid derivatives, structures

Cobalt carbonyl derivatives structure

Cobalt complex compounds with biguanide and its derivatives, structure

Cobalt derivatives structural parameters

Conductivity derived from electronic structure

Confined atoms, electronic structure derivatives

Contributing structures carboxylic acid derivatives

Coumarin derivatives, chemical structures

Crystal structure Distortion derivatives

Crystal structure Substitution derivatives

Crystal-structure derivatives

Defect and filled-up derivative structures

Derivative Structure

Derivative Structure

Derivatives fractal structure analysis

Derived Carbohydrate Structures

Electronic structures derivative crystal

Examples for Structure Derivation

Examples of structure derivations

Experimentally Derived Constraints on Prion Filament Structure

Ferrocene and derivatives structure

Ferrocene derivatives ligand structure

Ferrocene derivatives structural properties

Ferrocene derivatives structures

Flavin derivatives, structures

Functional derivatives structure

GEOMETRICAL DERIVATION OF SIMPLE LAYER-TYPE STRUCTURES

Glucan derivatives, structural

Glucan derivatives, structural cellulose

Glucan derivatives, structural complexity

Iron derivatives structural parameters

Isopropylidene derivatives structure

Isoquinoline, N-pivaloyltetrahydrobromomagnesium derivative crystal structure

Memory kernel, structure factor derivation

Methylene derivatives structure

Micellar structures poly derivatives

Modeling Approaches to Deriving Conceptual Structures for Molten Salts

Molybdenum derivatives structural parameters

Monovalent structures derivatives

Nitrothiazole derivatives, structures

Nomenclature deriving structure from

Olefins derivatives, five-membered ring structure

Oligomer of well-defined structures and derivatives

Palladium chloride derivative, structure

Palladium complex compounds with biguanide and its derivatives, structure

Peptide ACTH-derived, structure-activity

Platinum derivatives structural parameters

Podocarpic acid derivatives structure

Polyimides Reinforced by a Sol-Gel Derived Organosilicon Nanophase Synthesis and Structure-Property Relationships

Polymer structure initiator-derived

Polythiophene derivatives structures

Processes in Cellulose Derivative Structures

Propargylic lithium derivatives structure

Propiophenone derivative structure

Proteins, crystal structur heavy atom derivatives

QSAR (quantitative structure-activity deriving equation

Rhodium derivatives structural parameters

Ring structure thiazole derivatives

Ring structure thiophene derivatives

Silver complex compounds with biguanide and its derivatives, structure

Soluble fused ring derivatives, structures

Structural Effects Derived from M-OH2 Acting as an Intramolecular H-Bond Donor to a Bound Phosphate Ester

Structural Studies of Bi2-Derivatives by Nuclear Magnetic Resonance Spectroscopy

Structural evidence against the classical through resonance concept in p-nitroaniline and its derivatives

Structural versus Experimental Differentiation - Dependence on Structure-Derived Descriptor Used

Structurally derived effects

Structure Weights Derived from the Molecular Geometry

Structure and N.M.R. Properties of Thietan Derivatives

Structure and Nomenclature of Acid Derivatives

Structure and Reactivity of Carboxylic Acid Derivatives

Structure butyl-derivative synthesis

Structure determination relaxation matrix derived distance

Structure first derivative

Structure of Carboxylic Acid Derivatives

Structure of Complexes in Solution Derived from X-Ray Diffraction

Structure of Organolithium Derivatives

Structure-activity relationship, derived from

Structure-activity relationships derivatives

Structures Derived of Body-centered Cubic Packing (CsCl Type)

Structures and Bonding in Group III Derivatives

Structures derived from a trigonal bipyramid

Sugar-derived radicals, structure

Techniques Used for Structure Derivations

Term structure derivation

Term-structure modeling rate derivatives

Terpenoids and Terpenoid Derivatives as Structurally Specific Agents

Tertiary protein structure predictions, derivation from

Tetraethoxysilane derivatives structure

The Structure and Physicochemical Properties of Isoxazole Derivatives

The Structure of Pyrimidine Nucleosides Derived from Nucleic Acids

Thiophene derivatives five-membered ring structure

Titanium derivatives structural parameters

Transition-metal derivatives structural parameters

Tryptamine derivatives, structure

Tungsten derivatives structural parameters

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