Plakhutin Boris Nikolaevich

Employee

Science activity

Articles - 42 , Conference theses - 5 , Conference attendances - 6

Articles (42) More info

1	Plakhutin B.N. Koopmans' Theorem and Selection Rules for One-Electron Ionization Processes in Orbitally Degenerate Systems Journal of Chemical Physics. 2022. V.157. N17. 174103 :1-14. DOI: 10.1063/5.0110124 WOS Scopus РИНЦ AN PMID OpenAlex
2	Plakhutin B.N. Brillouin’s Theorem in the Hartree-Fock Method: Eliminating the Limitation of the Theorem for Excitations in the Open Shell Journal of Chemical Physics. 2020. V.153. N22. 224110 :1-9. DOI: 10.1063/5.0035750 WOS Scopus РИНЦ ANCAN PMID OpenAlex
3	Chuhmanov E.P. , Ermolaev N.L. , Plakhutin B.N. , Ignatov S.K. Tris(perfluoroalkyl)germylethynyl Derivatives of Biphenyl Containing Ferrocenyl Donor Group: Structure, Spectra, and Photoinduced Intramolecular Electron Transfer Computational and Theoretical Chemistry. 2018. V.1123. P.50-60. DOI: 10.1016/j.comptc.2017.11.007 WOS Scopus РИНЦ AN OpenAlex
4	Plakhutin B.N. Koopmans’ Theorem in the Hartree-Fock Method. General Formulation Journal of Chemical Physics. 2018. V.148. N9. 094101 :1-17. DOI: 10.1063/1.5019330 WOS Scopus РИНЦ ANCAN OpenAlex
5	Plakhutin B.N. , Novikov A.V. , Polygalova N.E. , Prokhorov T.E. On the Ordering of Orbital Energies in the ROHF Method: Koopmans’ Theorem versus Aufbau Principle In compilation Quantum Systems in Physics, Chemistry, and Biology : Advances in Concepts and Applications. – Springer., 2017. – C.17-37. – ISBN 978-3-319-50254-0. DOI: 10.1007/978-3-319-50255-7_2 Scopus РИНЦ AN OpenAlex
6	Plakhutin B.N. , Davidson E.R. Canonical Form of the Hartree-Fock Orbitals in Open-Shell Systems Journal of Chemical Physics. 2014. V.140. N1. P.014102/1-15. DOI: 10.1063/1.4849615 WOS Scopus РИНЦ ANCAN PMID OpenAlex
7	Plakhutin B.N. General Form of the Total One-Electron Hamiltonian in the Restricted Open Shell Hartree-Fock Method Journal of Structural Chemistry. 2014. V.55. N6. P.1001-1009. DOI: 10.1134/S0022476614060018 WOS Scopus РИНЦ AN OpenAlex
8	Umanskiy S.Y. , Golubeva E.N. , Plakhutin B.N. Combined Calculation Method of Weak Exchange Interactions in Biradicals Russian Chemical Bulletin. 2013. V.62. N7. P.1511-1518. DOI: 10.1007/s11172-013-0217-8 WOS Scopus РИНЦ ANCAN OpenAlex
9	Nikolaev A.V. , Plakhutin B.N. C60 Fullerene as a Pseudoatom of the Icosahedral Symmetry Russian Chemical Reviews. 2010. V.79. N9. P.729-755. DOI: 10.1070/RC2010v079n09ABEH004139 WOS Scopus РИНЦ ANCAN OpenAlex
10	Davidson E.R. , Plakhutin B.N. Koopmans's Theorem in the Restricted Open-Shell Hartree-Fock Method. II. The Second Canonical Set for Orbitals and Orbital Energies Journal of Chemical Physics. 2010. V.132. N18. P.184110-184114. DOI: 10.1063/1.3418615 WOS Scopus РИНЦ ANCAN OpenAlex
11	Plakhutin B.N. , Davidson E.R. Koopmans’ Theorem in the Restricted Open-Shell Hartree−Fock Method. 1. A Variational Approach The Journal of Physical Chemistry A. 2009. V.113. N45. P.12386-12395. DOI: 10.1021/jp9002593 WOS Scopus РИНЦ ANCAN PMID OpenAlex
12	Plakhutin B.N. , Davidson E.R. Comment on "Combined Open Shell Hartree-Fock Theory of Atomic-Molecular and Nuclear Systems" [J. Math. Chem. 42 (2007) 177] Journal of Mathematical Chemistry. 2009. V.45. N3. P.859-866. DOI: 10.1007/s10910-008-9396-1 WOS Scopus РИНЦ AN OpenAlex
13	Plakhutin B.N. , Gorelik E.V. , Breslavskaya N.N. Koopmans' Theorem in the ROHF Method: Canonical Form for the Hartree-Fock Hamiltonian Journal of Chemical Physics. 2006. V.125. N20. P.204110. DOI: 10.1063/1.2393223 WOS Scopus РИНЦ ANCAN PMID OpenAlex
14	Plakhutin B.N. , Gorelik E.V. , Breslavskaya N.N. , Milov M.A. , Fokeyev A.A. , Novikov A.V. , Prokhorov T.E. , Polygalova N.E. , Dolin S.P. , Trakhtenberg L.I. Anomalous Values of〈Ŝ2 〉Before and After Annihilation of the First Spin Contaminant in UHF Wave Function Journal of Structural Chemistry. 2005. V.46. N2. P.195-203. DOI: 10.1007/s10947-006-0031-3 WOS Scopus РИНЦ ANCAN OpenAlex
15	Gorelik E.V. , Plakhutin B.N. Splitting of the d N Atomic States in Icosahedral 3d Metal Endofullerenes M@C60 Journal of Structural Chemistry. 2005. V.46. N5. P.771-782. DOI: 10.1007/s10947-006-0200-4 WOS Scopus РИНЦ ANCAN OpenAlex
16	Plakhutin B.N. , Breslavskaya N.N. , Gorelik E.V. , Arbuznikov A.V. On the Position of the Nitrogen 2p Energy Level in Endohedral N@C 60 (Ih) Journal of Molecular Structure: THEOCHEM. 2005. V.727. N1-3 SPEC. ISS.. P.149-157. DOI: 10.1016/j.theochem.2005.02.031 WOS Scopus РИНЦ ANCAN OpenAlex
17	Plakhutin B.N. Group-Theoretical Analysis of the Electronic Structure Data for Molecular Ions C60N± (Ih) Derived from Multipole Expansion of the Coulomb Interelectronic Interactions Journal of Chemical Physics. 2003. V.119. N21. P.11429-11436. DOI: 10.1063/1.1623471 WOS Scopus РИНЦ ANCAN OpenAlex
18	Plakhutin B.N. Symmetrical Conditions for the State Coupling Coefficients in the Open-Shell SCF Theory In compilation Reviews of Modern Quantum Chemistry. 2002. – Т.1,2. – C.16-42. – ISBN 9789810248895. DOI: 10.1142/9789812775702_0002ANCAN OpenAlex
19	Plakhutin B.N. , Carbó-Dorca R. Erratum to “Icosahedral Symmetry Structures with Open-Shell Electronic Configuration hN (N=1–9)”: [Phys. Lett. A 267 (2000) 370] Physics Letters A. 2001. V.279. N1-2. P.102-103. DOI: 10.1016/S0375-9601(00)00788-X WOS Scopus РИНЦ ANCAN OpenAlex
20	Plakhutin B.N. , Carbó-Dorca R. Icosahedral Symmetry Structures with Open-Shell Electronic Configuration hN (N=1–9). Physics Letters A. 2000. V.267. N5-6. P.370-378. DOI: 10.1016/S0375-9601(00)00142-0 WOS Scopus РИНЦ ANCAN OpenAlex
21	Plakhutin B.N. Integral Invariants for High-Symmetry Open-Shell Molecules Journal of Structural Chemistry. 1998. V.39. N1. P.1-13. DOI: 10.1007/BF02873818 WOS Scopus РИНЦ ANCAN OpenAlex
22	Plakhutin B.N. Integral Invariants for High-Symmetry Open-Shell Molecules. 2. Energies of Spectroscopic States Journal of Structural Chemistry. 1998. V.39. N2. P.147-157. DOI: 10.1007/BF02873611 WOS Scopus РИНЦ ANCAN OpenAlex
23	Plakhutin B.N. Spectrum of States in Icosahedral Structures of the Electronic Configuration gn (N = 1–7). 1. Invariant Expansion for Integrals and Energies Journal of Structural Chemistry. 1997. V.38. N1. P.1-9. DOI: 10.1007/BF02768800 WOS Scopus РИНЦ ANCAN OpenAlex
24	Plakhutin B.N. , Arbuznikov A.V. Spectrum of States in Icosahedral Structures of the Electronic Configuration gn (N = 1–7). 2. Ab initio Calculation of the c20 (I h ) Molecule and Its Anions Journal of Structural Chemistry. 1997. V.38. N4. P.501-510. DOI: 10.1007/BF02762730 WOS Scopus РИНЦ ANCAN OpenAlex
25	Plakhutin B.N. Coupling Coefficients "Symmetry Dilemma" in the Restricted Open-Shell Hartree-Fock Method Journal of Mathematical Chemistry. 1997. V.22. N2-4. P.203-233. DOI: 10.1023/A:1019184100245 WOS Scopus РИНЦ ANCAN OpenAlex
26	Plakhutin B.N. , Arbuznikov A.V. Asymmetric SCF Coupling Coefficients for Highly Symmetric Open-Shell Molecules Chemical Physics Letters. 1995. V.232. N3. P.247-252. DOI: 10.1016/0009-2614(94)01350-5 WOS Scopus РИНЦ ANCAN OpenAlex
27	Kachurovskaya N.A. , Shсhegoleva L.N. , Plakhutin B.N. Structure and Stability of the SiH3O2 Radical Journal of Structural Chemistry. 1994. V.35. N1. P.21-26. DOI: 10.1007/BF02578497 WOS Scopus РИНЦ OpenAlex
28	Plakhutin B.N. Hartree-Fock States Energy Spectra for Icosahedral Open-Shell Structures with Electronic Configurations gN (N=1-7) Chemical Physics Letters. 1994. V.227. N4-5. P.396-400. DOI: 10.1016/0009-2614(94)00827-2 WOS Scopus РИНЦ ANCAN OpenAlex
29	Plakhutin B.N. , Arbuznikov A.V. , Trofimov A.B. Coupling Coefficients for Systems with Two Open Electronic Shells: Transition Metal Ions with pMdN Configuration International Journal of Quantum Chemistry. 1993. V.45. N4. P.363-383. DOI: 10.1002/qua.560450404 WOS Scopus РИНЦ ANCAN OpenAlex
30	Plakhutin B.N. , Shhegoleva L.N. , Zhidomirov G.M. Potential Energy Surface for Highly Symmetric Structures Described in the Hartree-Fock Method by non-Roothaan Type Wave Functions Journal of Structural Chemistry. 1992. V.33. N5. P.621-630. DOI: 10.1007/BF00747065 WOS Scopus РИНЦ OpenAlex
31	Plakhutin B.N. , Arbuznikov A.V. Equations for Determination of Vector Coupling Coefficients in Systems with Two Open Shells. Ions of Transition Metals with pM dN Configuration Journal of Structural Chemistry. 1992. V.33. N6. P.775-785. DOI: 10.1007/BF00745597 WOS Scopus РИНЦ OpenAlex
32	Plakhutin B.N. , Trofimov A.B. Different Formulations of Restricted Hartree-Fock Method for Transition-Metal Atoms Journal of Structural Chemistry. 1992. V.33. N6. P.786-794. DOI: 10.1007/BF00745598 WOS Scopus РИНЦ OpenAlex
33	Plakhutin B.N. , Zhidomirov G.M. , Arbuznikov A.V. Vector Coupling Coefficients for Calculations of Transition-Metal Atoms and Ions by the SCF Coupling Operator Method International Journal of Quantum Chemistry. 1992. V.41. N2. P.311-325. DOI: 10.1002/qua.560410207 WOS Scopus РИНЦ ANCAN OpenAlex
34	Plakhutin B.N. , Shhegoleva L.N. , Zhidomirov G.M. Inadequacy of One-Electron Approach for Investigating Antiaromatic Molecules and Their Isomerization Reactions Journal of Structural Chemistry. 1991. V.32. N5. P.641-651. DOI: 10.1007/BF00752990 WOS Scopus РИНЦ OpenAlex
35	Danovich D.K. , Plakhutin B.N. , Voronov V.K. Quantum-Chemical Study of Structure and Isotropic Chemical Shifts in the NMR Spectrum of the Paramagnetic Complex of 1-Vinylimidazole with CuCl2 Theoretical and Experimental Chemistry. 1990. V.26. N2. P.208-212. DOI: 10.1007/BF01160506 Scopus РИНЦ OpenAlex
36	Klimko G.T. , Mestechkin M.M. , Plakhutin B.N. , Zhidomirov G.M. , Evarestov R.A. The Origin of Energy Functional in Roothaan Open Shell SCF Theory International Journal of Quantum Chemistry. 1990. V.37. N1. P.35-50. DOI: 10.1002/qua.560370104 WOS Scopus РИНЦ ANCAN OpenAlex
37	Plakhutin B.N. , Zhidomirov G.M. Theoretical Analysis of Magnetic and Electric Hyperfine Interactions on 1H and 2H Nuclei of bis(acetylacetonato) Copper (II) Theoretical and Experimental Chemistry. 1988. V.24. N2. P.142-147. DOI: 10.1007/BF00531186 Scopus РИНЦ OpenAlex
38	Plakhutin B.N. , Zhidomirov G.M. , Mestechkin M.M. Construction and Properties of Supplementary Solutions of the Hartree-Fock Equations for the Closed Shell Journal of Structural Chemistry. 1987. V.28. N6. P.813-820. DOI: 10.1007/BF00745248 WOS Scopus РИНЦ OpenAlex
39	Plakhutin B.N. , Klimko G.T. , Mestechkin M.M. , Zhidomirov G.M. The Relation Between the Open Shell Energy Functional in the Roothaan Method and the Symmetry of the System Theoretical and Experimental Chemistry. 1987. V.23. N2. P.123-128. DOI: 10.1007/BF00534571 Scopus РИНЦ OpenAlex
40	Plakhutin B.N. , Zhidomirov G.M. Constructing Functions with the Correct Symmetry for Terms of non-Roothaan Type in the Restricted Hartree-Fock Method Journal of Structural Chemistry. 1986. V.27. N2. P.179-183. DOI: 10.1007/BF00751719 WOS Scopus РИНЦ OpenAlex
41	Plakhutin B.N. , Zhidomirov G.M. , Zamaraev K.I. INDO Calculations of Spin-Hamiltonian Constants in Transition-Metal Complexes. Influence of Structural Distortions and Adduct Formation on g-Tensor of Copper (II) bis-Acetylacetonate Journal of Structural Chemistry. 1983. V.24. N2. P.169-176. DOI: 10.1007/BF00747373 WOS Scopus РИНЦ OpenAlex
42	Kochubey D.I. , Erenburg S.B. , Khomichev V.V. , Volkov A.I. , Plakhutin B.N. , Ione K.G. , Mazalov L.N. , Zamaraev K.I. A Study by X-Ray Spectral and Other Physical Methods of the Mechanism of the Poisoning of Y-Zeolites by Thiophene in the Hydrogenation of n-Hexene Journal of Structural Chemistry. 1982. V.23. N3. P.369-376. DOI: 10.1007/BF00753473 WOS Scopus РИНЦ OpenAlex

Conference theses (5) More info

1	Plakhutin B.N. Open-Shell Hartree-Fock Methods Revisited. The Full Set of Variational Conditions Underlying the Canonical HF Method In compilation Twenty Fourth International Workshop on Quantum Systems in Chemistry, Physics and Biology.Book of Abstracts. 2019. – C.44.
2	Plakhutin B.N. Canonical Formulation of the Hartree-Fock Method for Open-Shell Systems In compilation XIXth International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP-XIX). 2014. – C.69 (LXV-3).
3	Plakhutin B.N. Koopmans’ theorem in the Hartree-Fock method: Variational formulation and extension to arbitrary multielectron systems In compilation QSCP-XVII : International Workshop on Quantum Systems in Chemistry and Physics : abstracts and program : August 19-25, 2012, Turku, Finland. – Åbo Akademi., 2012. – C.23. – ISBN 978-952-12-2761-5.
4	Plakhutin B.N. Koopmans theorem in the Hartree-Fock method: General formulation In compilation The 13th V.A. Fock Meeting on Quantum and Computational Chemistry. 2012. – C.10.
5	Gorelik E.V. , Plakhutin B.N. , Lukzen N.N. , Ovcharenko V.I. Ab initio Study of Exchange Interactions in Two-Center Nitroxyl Containing Clusters In compilation Book of Abstracts 8-th Session of the V.A. Fock School on Quantum and Computational Chemistry, 26-30 April 2004, Velikiy Novgorod. 2004. – C.79.

Conference attendances (6) More info

1	Plakhutin B.N. Brillouin’s Theorem in the ROHF Method. Reformulation of the Theorem for Excitation Processes within the Open Shell 25th International Workshop on Quantum Systems in Chemistry, Physics and Biology 27 Jun - 2 Jul 2021
2	Plakhutin B.N. Open-Shell Hartree-Fock Methods Revisited. The Full Set of Variational Conditions Underlying the Canonical HF Method Twenty Fourth International Workshop on Quantum Systems in Chemistry, Physics and Biology 18-24 Aug 2019
3	Plakhutin B.N. Canonical Formulation of the Hartree-Fock Method for Open-Shell Systems XIXth International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP-XIX) 11-17 Nov 2014
4	Plakhutin B.N. Koopmans’ theorem in the Hartree-Fock method: Variational formulation and extension to arbitrary multielectron systems 17th International Workshop on Quantum Systems in Chemistry and Physics 19-25 Aug 2012
5	Plakhutin B.N. Koopmans theorem in the Hartree-Fock method: General formulation The 13th V.A. Fock Meeting on Quantum and Computational Chemistry 23-27 Apr 2012
6	Breslavskaya N.N. , Arbuznikov A.V. , Plakhutin B.N. , Buchachenko A.L. On the Position of the Nitrogen 2p Energy Level in Endohedral N@C60 (Ih) 8th Fock Meeting on Quantum and Computational Chemistry 26-30 Apr 2004

Identifiers

ResearcherID: E-9563-2012

ORCID: 0000-0003-2931-8904

Elibrary ID: 46436

Scopus ID: 6602840852

Degrees

1995 - Dr.Sc.