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[PDF] Top 20 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors

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Analysis of chemical bonding and aromaticity from electronic delocalization descriptors

Analysis of chemical bonding and aromaticity from electronic delocalization descriptors

... ticity of the PAH are altered significantly upon complexation with the chromium tricarbonyl ...planarity, and shows an increased difference between alternated short and long C–C bonds ...reactivity ... See full document

218

Chemical structure and reactivity by means of quantum chemical topology analysis

Chemical structure and reactivity by means of quantum chemical topology analysis

... theory of atoms in molecules (QTAIM) uses the total electron density as the information from which to (re)formulate chemical concepts ...chemistry and quantum mechanics and shows that ... See full document

44

Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory

Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory

... the electronic flow in a molecule proceeds as a function of reaction progress considering the scalar field of the ELF, giving as a result the qualitative graphical representation of curly ... See full document

29

Electronic structure and rearrangements of anionic [ClMg (η2 O2C)]− and [ClMg (η2 CO2)]− complexes: a quantum chemical topology study

Electronic structure and rearrangements of anionic [ClMg (η2 O2C)]− and [ClMg (η2 CO2)]− complexes: a quantum chemical topology study

... detailed analysis of a chemical system, relevant intermediates and transition states are identified according to their relative ...direct analysis of the wave-function that is an ... See full document

16

Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds

Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds

... processes and in supramolecular ...neither aromaticity nor other forms of π assistance are responsible for the enhanced stability of the hydrogen bonds in adenine-thymine ...follows ... See full document

159

A Proposal for the Restoration of the Islamic Towers in the Segura de la Sierra Valley. Significance and Values of this Cultural Landscape

A Proposal for the Restoration of the Islamic Towers in the Segura de la Sierra Valley. Significance and Values of this Cultural Landscape

... typology of the towers of the Segura valley and other surrounding places differs according to their ...all of them are single stage constructions and have a truncated pyramidal shape, ... See full document

11

Aromatic profiles of spray dried encapsulated orange flavours : influence of matrix composition on the aroma retention evaluated by sensory analysis and electronic nose techniques

Aromatic profiles of spray dried encapsulated orange flavours : influence of matrix composition on the aroma retention evaluated by sensory analysis and electronic nose techniques

... measure of the total volatiles, being them aromatic or not (Stephan et ...component of some aroma is still far ...sensory analysis which gives a specific perception of a particular flavour ... See full document

23

Salud Colectiva: informe de gestión editorial 2011-2012

Salud Colectiva: informe de gestión editorial 2011-2012

... weight of these values within the overall scenario in which the journal is in- ...number of citations, Salud Colectiva ranked fourth in all fields of knowledge and first in health sciences out ... See full document

8

Magnetic mineralogy in Barranca Tlalpan exposure paleosols, Tlaxcala, Mexico

Magnetic mineralogy in Barranca Tlalpan exposure paleosols, Tlaxcala, Mexico

... measured from 25º to 650º C, during heating and cooling, in ...field of 2.5 Tesla (T) was applied at room temperature, and cooled to 10 K (cooling curves) in zero field; a ...again, and ... See full document

13

A Practical, One Pot Synthesis of Highly Substituted Thiophenes and Benzo[b]thiophenes from Bromoenynes and o Alkynylbromobenzenes

A Practical, One Pot Synthesis of Highly Substituted Thiophenes and Benzo[b]thiophenes from Bromoenynes and o Alkynylbromobenzenes

... sets of reaction conditions were applied in reactions of a variety of representative o- alkynylbromobenzenes 1 to evaluate the scope of the one- pot procedures, and the results are ... See full document

5

Concepts and approaches for marine ecosystem research with reference to the tropics

Concepts and approaches for marine ecosystem research with reference to the tropics

... tribution of life with emphasis on the micro- scopic plankton, which are influenced by cli- mate, pollution and ...dynamics of fluctuating ocean circulation, the physics of air-sea ... See full document

20

Computational Characterisation of Structure and Metallicity in Small Neutral and Singly Charged Cadmium Clusters

Computational Characterisation of Structure and Metallicity in Small Neutral and Singly Charged Cadmium Clusters

... dances of neutral clusters. Ruppel and Rademann 12 seeded the metal vapor of a high-temperature oven into a stream of noble gas which is then adiabatically expanded to form a su- personic ... See full document

25

Pharmacokinetics of acemetacin and its active metabolite indomethacin in rats during acute hepatic damage and liver regeneration

Pharmacokinetics of acemetacin and its active metabolite indomethacin in rats during acute hepatic damage and liver regeneration

... Background and aim: The pharmacokinetics of acem- etacin, a non-steroidal anti-inflammatory drug which is biotransformed to indomethacin by hepatic first-pass effect, was examined during the necrotic ... See full document

7

Mechanical and chemical behavior of calcium sulfoaluminate cements obtained from industrial waste

Mechanical and chemical behavior of calcium sulfoaluminate cements obtained from industrial waste

... Para os ensaios de durabilidade química, as amostras foram curadas por 7 dias em água potável e posteriormente, imersas em meios corrosivos durante 14, 28 ou 42 dias para a [r] ... See full document

13

Mechanical and chemical behavior of calcium sulfoaluminate cements obtained from industrial waste

Mechanical and chemical behavior of calcium sulfoaluminate cements obtained from industrial waste

... publication of the Latinamerican Association of quality control, pathology and recovery of construction- International, ...Reservation of rights to exclusive use ... See full document

13

Mechanical and chemical behavior of calcium sulfoaluminate cements obtained from industrial waste

Mechanical and chemical behavior of calcium sulfoaluminate cements obtained from industrial waste

... Para ambos sistemas se observaron reflexiones correspondientes a la espinela y a la gehlenita sin cambios aparentes en la intensidad de reflexiones en función del tiempo d[r] ... See full document

13

Analysis of prepositions: near and away from Frames of reference

Analysis of prepositions: near and away from Frames of reference

... difficulty of the concepts, by means of the application of a system with radial networks, in which each prepositional or adverbial sense is located on a node in accordance with its centrality within ... See full document

17

The drivers of ICT adoption in transport and logistics services: an approach from the SCP model

The drivers of ICT adoption in transport and logistics services: an approach from the SCP model

... understanding of the process is low, the lifecycle is short and the process is difficult to ...technologies and intensive technological competition. In such industries the speed of adoption ... See full document

10

Session 13 Introduction to Field Effect Transistors (FET)

Session 13 Introduction to Field Effect Transistors (FET)

... Source (S): provides carriers Gate (G): controls carriers flow Drain (D): receives carriers.. Exercise:[r] ... See full document

22

TítuloDiseño de quelatos de lantánidos de alta estabilidad con interés en imagen molecular

TítuloDiseño de quelatos de lantánidos de alta estabilidad con interés en imagen molecular

... Thermal correction to Gibbs Free Energy= Sum of electronic and zero-point Energies= Sum of electronic and thermal Energies= Sum of electronic and thermal Enthalpies= Sum of electronic an[r] ... See full document

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