Computational Materials Science: 15 (Theoretical and Computational Chemistry)

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Being genuinely talented, his creativity extended far beyond his occupational interests: he loved and understood music deeply, relished the beauties of art and literature. In , he received a university degree in art history from Ural State University after A. A genuine Russian intellectual, a man of great culture and wisdom, living on drive and determination, with creative excitement and verve — these are his qualities by which he will always be remembered.

He was a fascinating researcher, a valuable colleague and a good friend. It is so hard to think of him gone, and words, once written by a Russian poet Nikolay Nekrasov in his 'In Memory of Dobrolyubov' verse, are drumming in our memory as a refrain: "What a torch of reason ceased to burn, What heart has ceased to beat! In memoriam: Alexander Ivanovskii, innovative researcher and science manager Modeling of the nanotubular form of the matter. Russian Chemical Reviews, 67, P. Fullerenes and related nanoparticles incapsulated within nanotubes: synthesis, properties and modeling of new hybrid nanostructures.

Journal of Inorganic Chemistry, 48, P.

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Titanium nanocarbides: synthesis and modeling. Theoretical and Experimental Chemistry, , 43, Nanotubular Forms of Matter. Non-carbon nanotubes: Synthesis and simulation. Russian Chemical Reviews, 71, P. Nanotubes and related nanostructures of d-metal oxides: Synthesis and computer design.

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Russian Chemical Reviews, 74, P. Nanotubes and Related Nanostructures of Metal Oxides. Theoretical studies of inorganic fullerenes and fullerene-like particles.

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Israel Journal of Chemistry, 50, P. New layered carbon allotropes and their nanostructures: modeling of atomic structure, chemical bonding and electronic properties. Journal of Inorganic Chemistry, 50, P. Search for superhard carbon: between graphite and diamond. Journal of Superhard Materials, 35, P. New nanoforms of carbon and boron nitride. Russian Chemical Reviews, 77, P. Nanodiamonds and Related Carbon Nanomaterials. Graphene-based and graphene-like materials.

Russian Chemical Reviews, 81, P. Graphynes and graphdyines. Progress in Solid State Chemistry, 41, P. Graphene-like transition-metal nanocarbides and nanonitrides. Russian Chemical Reviews, 82, P. Electronic structure of refractory carbides and nitrides. Cambridge, University Press, p. Gubanov V.


Electronic structure and the chemical bond in non-stoichimetric refractory compounds of transition metals in sub-groups IVA and Va. Russian Chemical Reviews, 52, P. Tungsten carbides and nitrides and ternary systems based on them: the electronic structure, chemical bonding and properties. Russian Chemical Reviews, 79, P. I, Ivanovskij A. L, Novikov D.

L, Freeman A. Electronic properties of Ti3SiC2-based solid solutions. Physical Review B, 58, P.

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Low, Y. Zhou , Nova Sci. Computational Materials Science, 65, P. Platinum group metal nitrides and carbides: synthesis, properties and simulation. Russian Chemical Reviews, 78, P. R, Ivanovskii A. Physica B, , P. Solid State Science, 12, P.

2016 International Conference on Theoretical and High Performance Computational Chemistry

Magnetic effects induced by sp impurities and defects in nonmagnetic sp materials. Electronic structure of superconducting MgB2 and related binary and ternary borides. Physical Review B, 64, P. Interatomic interactions and electronic structure of hexagonal magnesium, aluminum, and silicon diborides: ab initio full-potential LMTO calculations. Russian Journal of Inorganic Chemistry, 45, P.

Elastic properties of mono- and polycrystalline hexagonal AlB2-like diborides of s, p and d metals from first-principles calculations.

Prineha Narang: Computational Materials Science

Journal of Physics, 20, P. Mechanical and electronic properties of diborides of transition 3d-5d metals from first principles: Toward search of novel ultra-incompressible and superhard materials. Progress in Materials Science, 57, P. Band structure and properties of superconducting MgB2 and related compounds a review. Physics of Solid State, 45, P.

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Computational Materials Science, Volume 15 (Theoretical and Computational Chemistry) [Jerzy Leszczynski] on *FREE* shipping on qualifying. Editorial Reviews. Book Description. Covers selected examples of notable applications of Computational Materials Science (Theoretical and Computational Chemistry Book 15) - Kindle edition by Jerzy Computational Materials Science (Theoretical and Computational Chemistry Book 15) 1st Edition, Kindle Edition.

Hours Full Time. Send Save You need to sign in or create an account to save. To build an enabling computational capability in support of the businesses and strategies of Royal Dutch Shell. The position focuses on building capabilities and skills in Computational Chemistry; Material informatics; corrosion and Materials Science to solve targeted problems in Shell's businesses and long-range research programs.

The successful candidate will be responsible for applying computational methods ex. The candidate is expected to seek out, evaluate, discover and invent new computational technologies relevant to above mentioned areas. The successful candidate will coordinate and liaise with different colleagues within Shell including experimental partners as well as build effective external partnerships within and outside India.