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Putz, Mihai V.
Carbon Bonding and Structures Advances in Physics and Chemistry / [electronic resource] : edited by Mihai V. Putz. - XII, 448 p. online resource. - Carbon Materials: Chemistry and Physics, 5 1875-0745 ; .
Quantum Parabolic Effects of Electronegativity and Chemical Hardness on Carbon p Systems -- Stiff Polymers at Ultralow Temperatures -- On topological modeling of 5|7 structural defects drifting in grapheme -- The Chemical Reactivity of Fullerenes and Endohedral Fullerenes: A Theoretical Perspective -- High Pressure Synthesis of the Carbon Allotrope Hexagonite with Carbon Nanotubes in a Diamond Anvil Cell -- Graph Drawing with Eigenvectors -- Applications of Chemical Graph Theory to Organic Molecules -- Structural Approach to Aromaticity and Local Aromaticity in Conjugated Polycyclic Systems -- Coding and Ordering Benzenoids and Their Kekulé Structures -- Prochirality and Pro-RS-Stereogenicity.Stereoisogram Approach Free From the Conventional “Prochirality” and “Prostereogenicity” -- Diamond D5, a novel class of carbon allotropes -- Empirical study of diameters of fullerene graphs -- Hardness Equalization in the formation poly atomic carbon compounds -- Modeling of the Chemico-Physical Process of Protonation of Carbon Compounds -- Molecular Shape Descriptors. Applications To Structure-Activity Studies -- Recent Advances in Bioresponsive Nanomaterials.
Carbon Bonding and Structures: Advances in Physics and Chemistry handles the quantification, indexing, and interpretation of the physical and chemical behaviour of carbon in molecules, crystals, and nanosystems. This multi-author volume features cutting edge research and focuses on both inorganic and organic areas of carbon combinations and states modelled from quantum, physical, computational, mathematical, and topological perspectives. The volume begins by proposing the parabolically based energy of the pi-complexes employing the chemical reactivity concepts of electronegativity and chemical hardness, followed by predicting new quantum effects for stiff polymers at ultralow temperatures; it continues with a set of topological and quantum chemical studies dedicated to drifting defects in graphene, endohedral fullerenes, whilst describing the hexagonite synthesis of carbon nanotubes; graph theory is then described in detail with eigenvectors, followed by topological descriptors and statistical applications to organic molecules; advances in the concept of aromaticity - its local and structural forms for conjugated polycyclic systems, the novel coding and ordered rules for benzenoids, the detailed treatment of chirality and stereogenicity demonstrate the organic chemistry theme of the volume; the original mathematical studies dedicated to novel diamond structure and classical fullerenes; intriguing aspects on assessing the chemical hardness and the power of the equalization principle specific to electronegativity as well as their use in modelling the chemo-physical process of protonation are subsequently presented with applications to carbon compounds; the volume finishes with a 3-D minimal topological difference study of aliphatic amine toxicity on biological species and a review explaining how bioresponsive materials and drugs may be designed and synthesized to bridge carbon structures to those based on its analog, silicon. Carbon Bonding and Structures: Advances in Physics and Chemistry describes the recent advances in the modelling and characterization of carbon based fundamentals and recently discovered composites. Each chapter is reported and reviewed by experts of international distinction. This monograph is aimed at materials science researchers in academia and industry.
9789400717336
Chemistry.
Chemistry--Mathematics.
Chemistry, Organic.
Chemistry, Physical organic.
Chemistry.
Physical Chemistry.
Math. Applications in Chemistry.
Organic Chemistry.
QD450-882
541
Carbon Bonding and Structures Advances in Physics and Chemistry / [electronic resource] : edited by Mihai V. Putz. - XII, 448 p. online resource. - Carbon Materials: Chemistry and Physics, 5 1875-0745 ; .
Quantum Parabolic Effects of Electronegativity and Chemical Hardness on Carbon p Systems -- Stiff Polymers at Ultralow Temperatures -- On topological modeling of 5|7 structural defects drifting in grapheme -- The Chemical Reactivity of Fullerenes and Endohedral Fullerenes: A Theoretical Perspective -- High Pressure Synthesis of the Carbon Allotrope Hexagonite with Carbon Nanotubes in a Diamond Anvil Cell -- Graph Drawing with Eigenvectors -- Applications of Chemical Graph Theory to Organic Molecules -- Structural Approach to Aromaticity and Local Aromaticity in Conjugated Polycyclic Systems -- Coding and Ordering Benzenoids and Their Kekulé Structures -- Prochirality and Pro-RS-Stereogenicity.Stereoisogram Approach Free From the Conventional “Prochirality” and “Prostereogenicity” -- Diamond D5, a novel class of carbon allotropes -- Empirical study of diameters of fullerene graphs -- Hardness Equalization in the formation poly atomic carbon compounds -- Modeling of the Chemico-Physical Process of Protonation of Carbon Compounds -- Molecular Shape Descriptors. Applications To Structure-Activity Studies -- Recent Advances in Bioresponsive Nanomaterials.
Carbon Bonding and Structures: Advances in Physics and Chemistry handles the quantification, indexing, and interpretation of the physical and chemical behaviour of carbon in molecules, crystals, and nanosystems. This multi-author volume features cutting edge research and focuses on both inorganic and organic areas of carbon combinations and states modelled from quantum, physical, computational, mathematical, and topological perspectives. The volume begins by proposing the parabolically based energy of the pi-complexes employing the chemical reactivity concepts of electronegativity and chemical hardness, followed by predicting new quantum effects for stiff polymers at ultralow temperatures; it continues with a set of topological and quantum chemical studies dedicated to drifting defects in graphene, endohedral fullerenes, whilst describing the hexagonite synthesis of carbon nanotubes; graph theory is then described in detail with eigenvectors, followed by topological descriptors and statistical applications to organic molecules; advances in the concept of aromaticity - its local and structural forms for conjugated polycyclic systems, the novel coding and ordered rules for benzenoids, the detailed treatment of chirality and stereogenicity demonstrate the organic chemistry theme of the volume; the original mathematical studies dedicated to novel diamond structure and classical fullerenes; intriguing aspects on assessing the chemical hardness and the power of the equalization principle specific to electronegativity as well as their use in modelling the chemo-physical process of protonation are subsequently presented with applications to carbon compounds; the volume finishes with a 3-D minimal topological difference study of aliphatic amine toxicity on biological species and a review explaining how bioresponsive materials and drugs may be designed and synthesized to bridge carbon structures to those based on its analog, silicon. Carbon Bonding and Structures: Advances in Physics and Chemistry describes the recent advances in the modelling and characterization of carbon based fundamentals and recently discovered composites. Each chapter is reported and reviewed by experts of international distinction. This monograph is aimed at materials science researchers in academia and industry.
9789400717336
Chemistry.
Chemistry--Mathematics.
Chemistry, Organic.
Chemistry, Physical organic.
Chemistry.
Physical Chemistry.
Math. Applications in Chemistry.
Organic Chemistry.
QD450-882
541