Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Anatoliy V. Luzanov"'
Autor:
Anatoliy V. Luzanov
Publikováno v:
Вісник Харківського національного університету: Серія xімія, Vol 32 (2019)
Externí odkaz:
https://doaj.org/article/0343001925e04bda8d9529941139785a
Autor:
Anatoliy V. Luzanov
Publikováno v:
Вісник Харківського національного університету: Серія xімія, Vol 31 (2018)
Externí odkaz:
https://doaj.org/article/4156f90a52944946b79fedcab9ce890b
Autor:
Anatoliy V. Luzanov
Publikováno v:
Springer Proceedings in Physics ISBN: 9783030519049
One of the current issues in molecular electronics is that of understanding length dependence of single-molecule conductance (SMC). There are works in which it is stated, on the basis of one-electron tight-binding (TB) and other models, that SMC tend
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d96601a410088d593ebd86993813754
https://doi.org/10.1007/978-3-030-51905-6_41
https://doi.org/10.1007/978-3-030-51905-6_41
Autor:
Anatoliy V. Luzanov
Publikováno v:
Functional materials. 24:005-441
To characterize carborundum nanoclusters (nano-SiC) we employ the topological Kirchhoff index and average energy of molecular graphs. Additionally, electron-kinematic indexes which reflect an average curvature of electron paths in molecule, are invok
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7efc920528e8dc14e97ae8e25de4fbff
https://doi.org/10.15407/fm24.03.434
https://doi.org/10.15407/fm24.03.434
Autor:
Anatoliy V. Luzanov
Publikováno v:
Springer Proceedings in Physics ISBN: 9783030177546
In the present paper, we consider many-body π-electron models and computational tools for treating single-molecule conductance in middle-size graphene molecules. Our study highlights the importance of accounting for long-range interactions and elect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3b8bb3aaf7d43e0881083989df16fa88
https://doi.org/10.1007/978-3-030-17755-3_22
https://doi.org/10.1007/978-3-030-17755-3_22
Autor:
Anatoliy V. Luzanov
Publikováno v:
Nanooptics, Nanophotonics, Nanostructures, and Their Applications ISBN: 9783319910826
We make use of various quantum chemistry approaches to understand π-electronic properties of a number of graphene quantum dots (GQDs) and at the same time to clarify the possibilities of fairly simple and feasible models for complex carbon-containin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc300651c5388bf2c9443c48b23c7e60
https://doi.org/10.1007/978-3-319-91083-3_11
https://doi.org/10.1007/978-3-319-91083-3_11
Autor:
Anatoliy V. Luzanov
Publikováno v:
Springer Proceedings in Physics ISBN: 9783319562445
A minireview is presented concerning the old and new tools for interpretation of orbitals and excited states of nanodiamonds with defects. We describe the new orbital localization measures which help us to detect the most localized states within huge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d9aa1468e35c2b0d2a0ab7c66b98344
https://doi.org/10.1007/978-3-319-56422-7_9
https://doi.org/10.1007/978-3-319-56422-7_9
Autor:
Anatoliy V. Luzanov, Dmitry Nerukh
Publikováno v:
Journal of Mathematical Chemistry. 41:417-435
Pseudoscalar measures of electronic chirality for molecular systems are derived using the spectral moment theory applied to the frequency-dependent rotational susceptibility. In this scheme a one-electron chirality operator κ^ naturally emerges as a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3707ba0fb334e9a8d05776ab844ebc55
https://doi.org/10.1007/s10910-006-9087-8
https://doi.org/10.1007/s10910-006-9087-8
Autor:
Oleg V. Prezhdo, Anatoliy V. Luzanov
Publikováno v:
The Journal of Chemical Physics. 135:094107
Conventional natural and Brueckner orbitals (BOs) are rather frequently used for improving active orbital spaces in various configuration interaction (CI) approaches. However, the natural and Brueckner single-determinant models per se fail to give an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::066412313588583ade4098f6047a037d
https://doi.org/10.1063/1.3629780
https://doi.org/10.1063/1.3629780