Zobrazeno 1 - 10
of 67
pro vyhledávání: '"Shant Shahbazian"'
Autor:
Shant Shahbazian
Publikováno v:
Advances in Quantum Chemical Topology Beyond QTAIM ISBN: 9780323908917
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aaf76e532c8d67f23b1c9e6298a79953
https://doi.org/10.1016/b978-0-323-90891-7.00017-7
https://doi.org/10.1016/b978-0-323-90891-7.00017-7
Autor:
Ricardo Almada-Monter, Omar A. Álvarez-Gonzaga, James S.M. Anderson, Paul W. Ayers, José E. Barquera-Lozada, Yoshio Barrera, Giovanna Bruno, Pablo Carpio-Martínez, Julia Contreras-García, Fernando Cortés-Guzmán, Aurora Costales, Emiliano Dorantes-Hernández, Mark E. Eberhart, Alberto Fernández-Alarcón, Evelio Francisco, Marco Antonio Garcia-Revilla, Carlo Gatti, Rosa M. Gómez-Espinosa, José M. Guevara-Vela, Jesús Hernández-Trujillo, Jesús Jara-Cortés, Samantha Jenkins, Laurent Joubert, Airi Kawasaki, Steven R. Kirk, Bruno Landeros-Rivera, Chérif F. Matta, Héctor D. Morales-Rodríguez, Amanda Morgenstern, Aldo de Jesús Mortera-Carbonell, Xing Nie, Eduardo Orozco-Valdespino, Ángel Martín Pendás, David I. Ramírez-Palma, Tomás Rocha-Rinza, Juan I. Rodríguez, Shant Shahbazian, David C. Thompson, Vincent Tognetti, Ismael Vargas-Rodríguez, Timothy R. Wilson, Tianlv Xu, Yong Yang
Publikováno v:
Advances in Quantum Chemical Topology Beyond QTAIM ISBN: 9780323908917
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a6a5fbceb6d5d85ceacaebaa187cc9c
https://doi.org/10.1016/b978-0-323-90891-7.09992-8
https://doi.org/10.1016/b978-0-323-90891-7.09992-8
Autor:
Mohammad Goli, Shant Shahbazian
The proton between the two oxygen atoms of the malonaldehyde molecule experiences an effective double-well potential in which the proton wavefunction is delocalized between the two wells. Herein we employed the state-of-the-art multi-component quantu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3f0349fd6b9d5cf0d83a47fece45603
Autor:
Shant Shahbazian
Publikováno v:
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering ISBN: 9780124095472
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a87960498530c341bee5d12d24aadd8e
https://doi.org/10.1016/b978-0-12-821978-2.00029-5
https://doi.org/10.1016/b978-0-12-821978-2.00029-5
Autor:
Mohammad Goli, Shant Shahbazian
It is well-known experimentally that the positively-charged muon and the muonium atom may bind to molecules and solids, and through muon$'$s magnetic interaction with unpaired electrons, valuable information on the local environment surrounding the m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a8466d0fb15822e232ce70b9712d25a
Autor:
David L. Cooper, Ramon Carbó-Dorca, Vincent Tognetti, Jerzy Cioslowski, Julien Pilmé, Bernard Silvi, Laurent Joubert, Henry Chermette, W. H. Eugen Schwarz, Ángel Martín Pendás, Shant Shahbazian, Yirong Mo, Eloy Ramos-Cordoba, Julia Contreras-García, Eduard Matito, Carlo Gatti, Paul L. A. Popelier, Pedro Salvador, Emilie-Laure Zins, Farnaz Heidar-Zadeh, Paul W. Ayers, Krzysztof Szalewicz, Alston J. Misquitta, Roberto A. Boto, Martin Rahm, Gernot Frenking, István Mayer, Miquel Solà, Juan Andrés, Frank Weinhold
Publikováno v:
Andrés, Juan Ayers, Paul W. Boto, Roberto A. Carbó-Dorca, Ramon Chermette, Henry Cioslowski, Jerzy Contreras-García, Julia Cooper, David L. Frenking, Gernot Gatti, Carlo Heidar-Zadeh, Farnaz Joubert, Laurent Martin Pendas, Ángel Matito i Gras, Eduard Mayer, István Misquitta, Alston J. Mo, Yirong Pilmé, Julien Popelier, Paul L.A. Rahm, Martin Ramos Cordoba, Eloy. Salvador Sedano, Pedro Schwarz, W.H. Eugen Shahbazian, Shant Silvi, Bernard Solà i Puig, Miquel Szalewicz, Krzysztof Tognetti, Vincent Weinhold, Frank Zins, Émilie-Laure 2019 Nine Question on Energy Decomposition Analysis Journal of Computational Chemistry 40 26 2248 2283
© Journal of Computational Chemistry, 2019, vol. 40, núm. 26, p. 2248-2283
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname
Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2019, 40 (26), pp.2248-2283. ⟨10.1002/jcc.26003⟩
Scopus
RUO: Repositorio Institucional de la Universidad de Oviedo
Universidad de Oviedo (UNIOVI)
Journal of computational chemistry 40 (2019): 2248–2283. doi:10.1002/jcc.26003
info:cnr-pdr/source/autori:Andres, Juan; Ayers, Paul W.; Boto, Roberto A.; Carbo-Dorca, Ramon; Chermette, Henry; Cioslowski, Jerzy; Contreras-Garcia, Julia; Cooper, David L.; Frenking, Gernot; Gatti, Carlo; Heidar-Zadeh, Farnaz; Joubert, Laurent; Martin Pendas, Angel; Matito, Eduard; Mayer, Istvan; Misquitta, Alston J.; Mo, Yirong; Pilme, Julien; Popelier, Paul L. A.; Rahm, Martin; RamosCordoba, Eloy; Salvador, Pedro; Schwarz, W. H. Eugen; Shahbazian, Shant; Silvi, Bernard; Sola, Miquel; Szalewicz, Krzysztof; Tognetti, Vincent; Weinhold, Frank; Zins, Emilie-Laure/titolo:Nine questions on energy decomposition analysis/doi:10.1002%2Fjcc.26003/rivista:Journal of computational chemistry/anno:2019/pagina_da:2248/pagina_a:2283/intervallo_pagine:2248–2283/volume:40
Popelier, P & et al. 2019, ' Nine Question on Energy Decomposition Analysis ', Journal of Computational Chemistry . https://doi.org/10.1002/jcc.26003
Repositori Universitat Jaume I
Universitat Jaume I
RUO. Repositorio Institucional de la Universidad de Oviedo
Universidad de las Islas Baleares
© Journal of Computational Chemistry, 2019, vol. 40, núm. 26, p. 2248-2283
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname
Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2019, 40 (26), pp.2248-2283. ⟨10.1002/jcc.26003⟩
Scopus
RUO: Repositorio Institucional de la Universidad de Oviedo
Universidad de Oviedo (UNIOVI)
Journal of computational chemistry 40 (2019): 2248–2283. doi:10.1002/jcc.26003
info:cnr-pdr/source/autori:Andres, Juan; Ayers, Paul W.; Boto, Roberto A.; Carbo-Dorca, Ramon; Chermette, Henry; Cioslowski, Jerzy; Contreras-Garcia, Julia; Cooper, David L.; Frenking, Gernot; Gatti, Carlo; Heidar-Zadeh, Farnaz; Joubert, Laurent; Martin Pendas, Angel; Matito, Eduard; Mayer, Istvan; Misquitta, Alston J.; Mo, Yirong; Pilme, Julien; Popelier, Paul L. A.; Rahm, Martin; RamosCordoba, Eloy; Salvador, Pedro; Schwarz, W. H. Eugen; Shahbazian, Shant; Silvi, Bernard; Sola, Miquel; Szalewicz, Krzysztof; Tognetti, Vincent; Weinhold, Frank; Zins, Emilie-Laure/titolo:Nine questions on energy decomposition analysis/doi:10.1002%2Fjcc.26003/rivista:Journal of computational chemistry/anno:2019/pagina_da:2248/pagina_a:2283/intervallo_pagine:2248–2283/volume:40
Popelier, P & et al. 2019, ' Nine Question on Energy Decomposition Analysis ', Journal of Computational Chemistry . https://doi.org/10.1002/jcc.26003
Repositori Universitat Jaume I
Universitat Jaume I
RUO. Repositorio Institucional de la Universidad de Oviedo
Universidad de las Islas Baleares
The paper collects the answers of the authors to the following questions: Is the lack of precision in the definition of many chemical concepts one of the reasons for the coexistence of many partition schemes? Does the adoption of a given partition sc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2dc2a17e00935f8f11c484ea6a755259
https://hdl.handle.net/2072/372180
https://hdl.handle.net/2072/372180
Autor:
Shant Shahbazian
Publikováno v:
Chemistry - A European Journal. 24:5401-5405
Equating (3,-1) critical points (CPs), derived from the topological analysis of the electron densities, to chemical bonds has triggered a lot of confusion in recent years. Part of this confusion stems from calling these CPs "bond" CPs (BCPs). While t
Publikováno v:
Physical Chemistry Chemical Physics. 20:4466-4477
An effective set of the Hartree-Fock (HF) equations are derived for electrons of the muonic systems, i.e., molecules containing a positively charged muon, conceiving the muon as a quantum oscillator, which are completely equivalent to the usual two-c
Autor:
Mohammad Goli, Shant Shahbazian
Publikováno v:
Chemphyschem : a European journal of chemical physics and physical chemistry. 20(6)
Recently it has been proposed that the positron, the anti-particle analog of the electron, is capable of forming an anti-matter bond in a composite system consists of two hydride anions and a positron [Angew. Chem. Int. Ed. 57, 8859-8864 (2018)]. In
Autor:
Mohammad Goli, Shant Shahbazian
Publikováno v:
ChemPhysChem. 17:3875-3880
Recently, it has been demonstrated that the domain-averaged exchange-correlation energies, Vxc, are capable of tracing the covalent character of atom–atom interactions unequivocally and thus pave the way for detailed bonding analysis within the con