Zobrazeno 1 - 10
of 322
pro vyhledávání: '"Douglas J. Klein"'
Publikováno v:
Communications in Combinatorics and Optimization, Vol 5, Iss 2, Pp 83-96 (2020)
The open neighborhood of a vertex v of a graph G is the set N(v) consisting of all vertices adjacent to v in G. For D ⊆ V (G), we define D = V (G) \ D. A set D ⊆ V (G) is called a super dominating set of G if for every vertex u ∈ D, there exi
Externí odkaz:
https://doaj.org/article/4bfd278b636c48eca3abc9a4ec856388
Publikováno v:
Frontiers in Physics, Vol 8 (2020)
A novel relation between the Moore-Penrose inverses of two nullity-1 n × n Hermitian matrices which share a common null eigenvector is established, and its application in electrical networks is illustrated by applying the result to Laplacian matrice
Externí odkaz:
https://doaj.org/article/dba3abfa217e470fa1df4c66017c84a0
Publikováno v:
International Journal of Photoenergy, Vol 2009 (2009)
Quantum-mechanical electronic structure computations were employed to explore initial steps towards a comprehensive design of polycarborane architectures through assembly of molecular units. Aspects considered were (i) the striking modification of ge
Externí odkaz:
https://doaj.org/article/a29242686b3a4daa85b138b2b7eb3891
Autor:
Bholanath Mandal, Douglas J. Klein
Publikováno v:
Journal of Mathematical Chemistry. 60:1131-1162
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7c94c41f1ccce380b5ca18d19ad31857
https://doi.org/10.1007/s10910-022-01353-8
https://doi.org/10.1007/s10910-022-01353-8
Publikováno v:
Discussiones Mathematicae Graph Theory, Vol 42, Iss 1, Pp 139-158 (2022)
In this paper, we study the weak Roman domination number and the secure domination number of lexicographic product graphs. In particular, we show that these two parameters coincide for almost all lexicographic product graphs. Furthermore, we obtain t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c9c2721d1905997b90bf70e388a2864
https://doaj.org/article/6182d7379efb4809a87fc9847a63d4be
https://doaj.org/article/6182d7379efb4809a87fc9847a63d4be
Autor:
Douglas J. Klein
Publikováno v:
Magnetic Properties of Organic Materials ISBN: 9780203748503
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::04684d447fbcdd87fda081eaf6c660a3
https://doi.org/10.1201/9780203748503-6
https://doi.org/10.1201/9780203748503-6
Autor:
Laimutis Bytautas, Douglas J. Klein, Demeter Tzeli, Maxime Ferrer, José Elguero, Ibon Alkorta, Josep M. Oliva-Enrich
A review of ab initio computational chemistry methods that can be used for accurate studies of molecules and molecular design and simulation of chemical phenomena with applications that are relevant in exploring biological activity is presented. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1ac0e4c6a816b828443abd0f4079218f
https://doi.org/10.2174/9789815036848122060008
https://doi.org/10.2174/9789815036848122060008
Autor:
Ofelia B. Oña, Maxime Ferrer, Diego R. Alcoba, Alicia Torre, Luis Lain, Gustavo Massaccesi, Douglas J. Klein, Ibon Alkorta, José Elguero, Josep M. Oliva-Enrich
The one-to-one structural correspondence between any conjugated hydrocarbon CnHm and the borane BnHm+n is extended here, with the B3LYP/cc-pVDZ model, to pure conjugated carbon systems with the example of buckminsterfullerene C60 with the correspondi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3659ab4b808d8df1e44811721695c4d6
https://doi.org/10.20944/preprints202204.0115.v1
https://doi.org/10.20944/preprints202204.0115.v1
Autor:
Ofelia B. Oña, Maxime Ferrer, Diego R. Alcoba, Alicia Torre, Luis Lain, Gustavo E. Massaccesi, Douglas J. Klein, Ibon Alkorta, José Elguero, Josep M. Oliva-Enrich
Publikováno v:
Computational and Theoretical Chemistry. 1220:113987
18 pags., 17 figs., 6 tabs.
The one-to-one structural correspondence between any conjugated hydrocarbon CnHm and the borane BnHm+n is extended here to pure conjugated carbon systems. We study the closo-borane B60H60 system, isoelectronic with th
The one-to-one structural correspondence between any conjugated hydrocarbon CnHm and the borane BnHm+n is extended here to pure conjugated carbon systems. We study the closo-borane B60H60 system, isoelectronic with th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf2de5e3285983bd0611364dd962e972
https://doi.org/10.1016/j.comptc.2022.113987
https://doi.org/10.1016/j.comptc.2022.113987
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
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Supplementary Information The online version contains supplementary material available at https://doi.org/10.1007/s00214-021-02752-x.
Diborane has long been realized as analogous to ethylene in terms of frontier molecular orbitals (MOs), their s
Diborane has long been realized as analogous to ethylene in terms of frontier molecular orbitals (MOs), their s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d19cc7b04756b82d2be54e0408bcfe9a
https://doi.org/10.1007/s00214-021-02752-x
https://doi.org/10.1007/s00214-021-02752-x