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Approaching bulk limit for three-dimensional solids via the cyclic cluster approximation: semiempirical INDO study
Title Approaching bulk limit for three-dimensional solids via the cyclic cluster approximation: semiempirical INDO study Author Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Co-authors Baňacký P. Biskupič S. Boča Roman Pelikán P. Svrček M. Zajac A. Source document Journal of Computational Chemistry. Vol. 20, no. 2 (1999), p. 253-261 Language eng - English Document kind rozpis článkov z periodík (rbx) Citations JANETZKI, F. - BREDOW, T. - GEUDTNER, G. - KOSTER, A.M. Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, OCT 2008, vol. 29, no. 13, p. 2295-2301. POMOGAEVA, A. - KIRTMAN, B. - GU, F.L. - AOKI, Y. Band structure built from oligomer calculations. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, FEB 21 2008, vol. 128, no. 7. JANETZKO, F. - KOSTER, A.M. - SALAHUB, D.R. Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, JAN 14 2008, vol. 128, no. 2. EVARESTOV, RA - BREDOW, T - JUG, K. Connection between slab and cluster models for crystalline surfaces. In PHYSICS OF THE SOLID STATE, 2001, vol.43, no.9, 1774. JUG, K - BREDOW, T. Models for the treatment of crystalline solids and surfaces. In JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, vol.25, no.13, 1551. PAPPOVA, A - CERNUSAK - URBAN, M - LIEBMAN, JF. MBPT and DFT study of hydrogen cyanide borane(1) oligomers and dehydrogenated analogues. In JOURNAL OF PHYSICAL CHEMISTRY A, 2000, vol.104, no.24, 5810. BREDOW, T - GEUDTNER, G - JUG, K. Development of the cyclic cluster approach for ionic systems. In JOURNAL OF COMPUTATIONAL CHEMISTRY, 2001, vol.22, no.1, 89. BREDOW, Thomas - DRONSKOWSKI, Richard - EBERT, Hubert - JUG, Karl. Theory and computer simulation of perfect and defective solids. In PROGRESS IN SOLID STATE CHEMISTRY, 2009, vol.37, no.2-3, 70. EVARESTOV, RA - CATLOW, R - KOTOMIN, E. Translation symmetry in imperfect crystal modelling. In COMPUTATIONAL MATERIALS SCIENCE, 2003, vol.187, no., 122. JUG, K - GEUDTNER, G. Quantum chemical contributions on the reactivity of solids. In JOURNAL OF SOLID STATE CHEMISTRY, 2003, vol.176, no.2, 575. BREDOW, T - EVARESTOV, RA - JUG, K. Implementation of the cyclic cluster model in Hartree-Fock LCAO calculations of crystalline systems. In PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 2000, vol.222, no.2, 495. BREDOW, T - EVARESTOV, RA. Cyclic clusters of hexagonal boron nitride monolayers: LCAO Hartree-Fock calculations. In PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 2000, vol.220, no.1, r5. BREDOW, T - JUG, K. Theory and range of modern semiempirical molecular orbital methods. In THEORETICAL CHEMISTRY ACCOUNTS, 2005, vol.113, no.1, 1. JANETZKO, F - BREDOW, T - JUG, K. Effects of long-range interactions in cyclic cluster calculations of metal oxides. In JOURNAL OF CHEMICAL PHYSICS, 2002, vol.116, no.20, 8994. GOSWAMI, Tamal - PAUL, Satadal - MISRA, Anirban. Effect of charge transfer and periodicity on the magnetism of [Cr(Cp*)(2)][ETCE]. In RSC ADVANCES. ISSN 2046-2069, 2014, vol. 4, no. 29, pp. 14847. PEINTINGER, Michael F. - BREDOW, Thomas. The Cyclic Cluster Model at Hartree-Fock Level. In JOURNAL OF COMPUTATIONAL CHEMISTRY. ISSN 0192-8651, 2014, vol. 35, no. 11, pp. 839. Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 1999 Registered in WOS Registered in SCOPUS Registered in CCC 
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rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 1999 1998 2.860
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