Read e-book online Carbon Bonding and Structures: Advances in Physics and PDF

By Mihai V. Putz (auth.), Mihai V. Putz (eds.)

ISBN-10: 9400717326

ISBN-13: 9789400717329

ISBN-10: 9400717334

ISBN-13: 9789400717336

Carbon Bonding and constructions: Advances in Physics and Chemistry handles the quantification, indexing, and interpretation of the actual and chemical behaviour of carbon in molecules, crystals, and nanosystems. This multi-author quantity gains innovative learn and specializes in either inorganic and natural components of carbon combos and states modelled from quantum, actual, computational, mathematical, and topological perspectives.

The quantity starts by way of featuring the parabolically dependent power of the pi-complexes utilising the chemical reactivity recommendations of electronegativity and chemical hardness, by means of predicting new quantum results for stiff polymers at ultralow temperatures; it maintains with a collection of topological and quantum chemical reports devoted to drifting defects in graphene, endohedral fullerenes, when describing the hexagonite synthesis of carbon nanotubes; graph thought is then defined intimately with eigenvectors, via topological descriptors and statistical purposes to natural molecules; advances within the idea of aromaticity - its neighborhood and structural varieties for conjugated polycyclic platforms, the radical coding and ordered principles for benzenoids, the particular remedy of chirality and stereogenicity display the natural chemistry subject matter of the amount; the unique mathematical experiences devoted to novel diamond constitution and classical fullerenes; interesting points on assessing the chemical hardness and the facility of the equalization precept particular to electronegativity in addition to their use in modelling the chemo-physical technique of protonation are as a consequence offered with purposes to carbon compounds; the amount finishes with a 3-D minimum topological distinction examine of aliphatic amine toxicity on organic species and a evaluation explaining how bioresponsive fabrics and medicine will be designed and synthesized to bridge carbon constructions to these in accordance with its analog, silicon.

Carbon Bonding and constructions: Advances in Physics and Chemistry describes the hot advances within the modelling and characterization of carbon dependent basics and lately came across composites. each one bankruptcy is mentioned and reviewed through specialists of foreign contrast. This monograph is aimed toward fabrics technological know-how researchers in academia and industry.

Show description

Read Online or Download Carbon Bonding and Structures: Advances in Physics and Chemistry PDF

Similar physics books

Download e-book for kindle: Online Consumer Protection: Theories of Human Relativism by Kuanchin Chen, Adam Fadlalla

Know-how is a double-edged sword that not just brings comfort, but additionally makes it possible for more uncomplicated technique to gather, discover, and trade info on or off line. buyer matters develop as protection breaches and privateness invasions are exposed ever extra often, developing the need for on-line shopper defense.

Additional info for Carbon Bonding and Structures: Advances in Physics and Chemistry

Example text

Wiley, New York Cory MG, Stavrev KK, Zerner MC (1997) Int J Quantum Chem 63:781–795 Cotton FA (1971a) Chemical application of group theory. Wiley, New York, p 137 Cotton FA (1971b) Chemical application of group theory. Wiley, New York, p 163 Davis LP, Guidry RM, Williams JR, Dewar MJS, Rzepa HS (1981) J Comput Chem 2:433–445 De Vries J, Steger H, Kamke B, Menzel C, Weisser B, Kamke W, Hertel IV (1992) Chem Phys Lett 188:159–162 Del Bene J, Jaffe´ HH (1968a) J Chem Phys 48:1807–1814 Del Bene J, Jaffe´ HH (1968b) J Chem Phys 48:4050–4056 Del Bene J, Jaffe´ HH (1968c) J Chem Phys 49:1221–1229 Dewar MJS, Dieter KM (1986) J Am Chem Soc 108:8075–8086 Dewar MJS, Hasselbach E (1970) J Am Chem Soc 92:590–598 Dewar MJS, Lo DH (1972) J Am Chem Soc 94:5296–5303 Dewar MJS, McKee ML (1977) J Am Chem Soc 99:5231–5241 Dewar MJS, Rzepa HS (1978) J Am Chem Soc 100:58–67 Dewar MJS, Storch DM (1985) J Am Chem Soc 107:3898–3902 Dewar MJS, Thiel W (1977) J Am Chem Soc 99:4899–4907 Dewar MJS, Lo DH, Ramsden CA (1975) J Am Chem Soc 97:1311–1318 Dewar MJS, Zoebisch EG, Healy EF, Stewart JJP (1985) J Am Chem Soc 107:3902–3909 Dreizler RM, Gross EKU (1990) Density functional theory.

In the following, the main computational characteristics of our W-based model are introduced by describing how the SW6/6 rotation topologically modifies the graphene dual plane. 2 Topological Potential The adopted theoretical model assigns to the Wiener index W(N) of the dual graph G (Todeschini and Consonni 2000) the role of the topological potential of the system subject to a minimum principle. As a function of the graph chemical distances Eq. 1, W privileges those transformations that increase the overall topological compactness of the system and it has been recently used in simulating the growing steps of fullerene-like nanostructures on the graphene dual plane (Cataldo et al.

97) for the experimental/H€ uckel method and on the related energy form of Eq. 069 kcal/mol jE-(para) Quantity! 2, here for the Benzene p-system, with DN¼Np¼6 jE-(para) Quantity! 2795 a From National Institute of Standard and Technology (NIST 2011a) b From interpolation data presented in Fig. ] . . 71. 68 kcal/mol, see Cotton (1971a) 1 Quantum Parabolic Effects of Electronegativity and Chemical Hardness. . 2, here for the Naphthalene p-system, with DN¼Np¼10 jE-(para) Quantity! ] . . 71. 2, here for the Fullerene p-system, with DN¼Np¼60 jE-(para) Quantity!

Download PDF sample

Carbon Bonding and Structures: Advances in Physics and Chemistry by Mihai V. Putz (auth.), Mihai V. Putz (eds.)

by Donald

Rated 4.37 of 5 – based on 20 votes