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Shant Shahbazian

Associate Professor

Update: 2024-11-07

Shant Shahbazian

Physics /

Journal Paper

  1. "Quantifying errors of electron-proton/muon correlation functionals through the Kohn-Sham inversion of a two-component model system"
    Nahid Sadat Riyahi, Mohammad Goli, Shant Shahbazian
    PHYSICAL REVIEW B, Vol. 108, 2023
  2. "On the nature of the two-positron bond: evidence for a novel bond type"
    Mohammad Goli, Dario Bressanini, Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 25, pp.29531-29547, 2023
  3. "MC-QTAIM analysis reveals an exotic bond in coherently quantum superposed malonaldehyde"
    Mohammad Goli, Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 25, pp.5718-5730, 2023
  4. "The Conceptual and Mathematical Foundations of the MC-QTAIM"
    Shant Shahbazian
    Chemistry, Molecular Sciences and Chemical Engineering, pp.1-13, 2022
  5. "Two-component density functional theory for muonic molecules: Inclusion of the electron-positive muon correlation functional"
    Mohammad Goli, Shant Shahbazian
    JOURNAL OF CHEMICAL PHYSICS, Vol. 156, 2022
  6. "On the Nature of the Positronic Bond"
    Mohammad Goli, Shant Shahbazian
    CHEMPHYSCHEM, Vol. 20, pp.831-837, 2019
  7. "Nine questions on energy decomposition analysis"
    Juan Andrés, Paul W Ayers, Roberto A Boto, Ramon Carbo-Dorca, Henry Chermette, Jerzy Cioslowski, Julia Contreras-Garcia, David L Cooper, Gernot Frenking, Farnaz Heidar-Zadeh, Laurent Joubert, Angel Martin Pendas, Eduard Matito, Istvan Mayer, Alston J Misquitta, Yirong Mo, Julien Pilmé, Paul L A Popelier, Martin Rahm, Eloy Ramos-Cordoba, Pedro Salvador, W. H. Eugen Schwarz, Shant Shahbazian, Bernard Silvi, Miquel Solà, Krzysztof Szalewicz, Vincent Tognetti, Frank Weinhold, Emilie-Laure Zins
    JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol. 40, pp.2248-2283, 2019
  8. "Why Bond Critical Points Are Not Bond Critical Points"
    Shant Shahbazian
    CHEMISTRY-A EUROPEAN JOURNAL, Vol. 24, pp.5401-5405, 2018
  9. "Revisiting the foundations of the quantum theory of atoms in molecules Some open problems"
    Shant Shahbazian
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 118, 2018
  10. "Developing effective electronic-only coupled-cluster and Moller-Plesset perturbation theories for the muonic molecules"
    Mohammad Goli, Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 20, pp.16749-16760, 2018
  11. "Toward a muon-specific electronic structure theory effective electronic HartreeFock equations for muonic molecules"
    Milad Rayka, Mohammad Goli, Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 20, pp.4466-4477, 2018
  12. "Effective electronic-only KohnSham equations for the muonic molecules"
    Milad Rayka, Mohammad Goli, Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 20, pp.8802-8811, 2018
  13. "Incorporating nuclear vibrational energies into the atom in molecules analysis An analytical study"
    Masumeh Gharabaghi, Shant Shahbazian
    JOURNAL OF CHEMICAL PHYSICS, Vol. 146, 2017
  14. "Extending the Domain-Averaged Exchange-Correlation Energies Within the Context of the MC-QTAIM Tracing Subtle Variations Induced by Isotope Substitution"
    Mohammad Goli, Shant Shahbazian
    CHEMPHYSCHEM, Vol. 17, pp.3875-3880, 2016
  15. "Tracing the Fingerprint of Chemical Bonds within the Electron Densities of Hydrocarbons A Comparative Analysis of the Optimized and the Promolecule Densities"
    Zahra Alimohammadi Keyvani, Shant Shahbazian, Mansoor Zahedi
    CHEMPHYSCHEM, Vol. 17, pp.3260-3268, 2016
  16. "Some implications of the Hartree product treatment of the quantum nuclei in the ab initio nuclear electronic orbital methodology"
    Masumeh Gharabaghi, Shant Shahbazian
    PHYSICS LETTERS A, Vol. 380, pp.3983-3987, 2016
  17. "Muon-Substituted Malonaldehyde Transforming a Transition State into a Stable Structure by Isotope Substitution"
    Mohammad Goli, Shant Shahbazian
    CHEMISTRY-A EUROPEAN JOURNAL, Vol. 22, pp.2525-2531, 2016
  18. "To What Extent are Atoms in Molecules Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities"
    Zahra Alimohammadi Keyvani, Shant Shahbazian, Mansoor Zahedi
    CHEMISTRY-A EUROPEAN JOURNAL, Vol. 22, pp.5003-5009, 2016
  19. "Seeking Extremes in Molecular Design To What Extent May Two Non-Bonded Hydrogen Atoms be Squeezed in a Hydrocarbon"
    Rohoullah Firouzi, Shant Shahbazian
    CHEMPHYSCHEM, Vol. 17, pp.51-54, 2016
  20. "Topological and AIM analyses beyond the Born Oppenheimer paradigm New opportunities"
    Mohammad Goli, Shant Shahbazian
    Computational and Theoretical Chemistry, Vol. 1053, pp.96-105, 2015
  21. "Six questions on topology in theoretical chemistry"
    Ayers Paul , Boyd Russell, Bultinck Patrick, Caffarel Michel, Carb?-Dorca Ramon, Caus? Mauro, Cioslowski Jerzy, Contreras-Garcia Julia, Cooper David, Coppens Philip, Gatti Carlo, Grabowsky Simon, Lazzeretti Paolo, Macchi Piero, Mart?n Pend?s angel, Popelier Paul, Ruedenberg Klaus, Rzepa Henry, Savin Andreas, Sax Alexander, Schwarz Eugen, Shant Shahbazian, Silvi Bernard, Solà Miquel, Tsirelson Vladimir
    Computational and Theoretical Chemistry, Vol. 1053, pp.2-16, 2015
  22. "Where to place the positive muon in the Periodic Table"
    Mohammad Goli, Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 17, pp.7023-7037, 2015
  23. "Toward a Consistent Interpretation of the QTAIM Tortuous Link between Chemical Bonds Interactions and Bond/Line Paths"
    , Shant Shahbazian, Radek Marek
    CHEMISTRY-A EUROPEAN JOURNAL, Vol. 20, pp.10140-10152, 2014
  24. "Seeking for ultrashort non-bonded hydrogen hydrogen contacts in some rigid hydrocarbons and their chlorinated derivatives"
    , Shant Shahbazian
    STRUCTURAL CHEMISTRY, pp.1297-1304, 2014
  25. "Hidden aspects of the Structural theory of chemistry MC-QTAIM analysis reveals alchemical transformation from a triatomic to a diatomic structure"
    Mohammad Goli, Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 17, pp.245-255, 2014
  26. "Letter to the editor Are there really atoms in molecules"
    Shant Shahbazian
    Foundations of Chemistry, Vol. 16, pp.77-84, 2014
  27. "What does shape a topological atom"
    Hamidreza Jouypazadeh, Shant Shahbazian
    Foundations of Chemistry, Vol. 16, pp.63-75, 2014
  28. "Deciphering the chemical nature of the exotic isotopes of hydrogen by the MC-QTAIM analysis the positively charged muon and the muonic helium as new members of the periodic table"
    Mohammad Goli, Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 16, pp.6602-6613, 2014
  29. "The two-component quantum theory of atoms in molecules (TC-QTAIM) tesnor formulation and its implications"
    Mohammad Goli, Shant Shahbazian
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 132, pp.1-14, 2013
  30. "The two-component quantum theory of atoms in molecules (TC-QTAIM) the unified theory of localization/delocalization of electrons nuclei and exotic elementary particles"
    Mohammad Goli, Shant Shahbazian
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 132, pp.1-22, 2013
  31. "Toward the multi-component of quantum theory of atoms in molecules a variational derivation"
    Mohammad Goli, Shant Shahbazian
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 132, pp.1-17, 2013
  32. "Comment on Austere quantum mechanics as a reductive basis for chemistry"
    Shant Shahbazian
    Foundations of Chemistry, Vol. 15, pp.327-334, 2013
  33. "Beyond the orthodox QTAIM motivations current status prospects and challenges"
    Shant Shahbazian
    Foundations of Chemistry, Vol. 15, pp.287-302, 2013
  34. "The Two-Component Quantum Theory of Atoms in Molecules (TC-QTAIM) Foundations"
    Mohammad Goli, Shant Shahbazian
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 131, pp.1-19, 2012
  35. "The Quantum Theory of Atoms in Positronic Molecules A case study on diatomic species"
    Mohammad Goli, Shant Shahbazian
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 111, pp.1982-1998, 2011
  36. "Atoms in molecules beyond Born Oppenheimer paradigm"
    Mohammad Goli, Shant Shahbazian
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 129, pp.235-245, 2011
  37. "A Dissected Ring Current Model for Assessing Magnetic Aromaticity A General Approach for both Organic and Inorganic Rings"
    , Shant Shahbazian, Ferran Feixas, , Miquel Sola
    JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol. 32, pp.2422-2431, 2011
  38. "The Quantum Theory of Atoms in Positronic Molecules The Subsystem Variational Procedure"
    Farnaz Heydarzadeh, Shant Shahbazian
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 111, pp.1999-2013, 2011
  39. "Letter to the Editor The Mathematical Soundness and the Physical Content of the Subsystem Variational Procedure of the QTAIM"
    Shant Shahbazian
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 111, pp.4497-4500, 2011
  40. "Toward a fuzzy atom view within the context of the quantum theory of atoms in molecules quasi-atoms"
    Farnaz Heydarzadeh, Shant Shahbazian
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 128, pp.175-181, 2011
  41. "The Quantum Divided Basins A New Class of Quantum Subsystems"
    Farnaz Heydarzadeh, Shant Shahbazian
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 111, pp.2788-2801, 2011
  42. "The critical re-evaluation of the aromatic/antiaromatic nature of Ti3(CO)3 a missed opportunity"
    , Shant Shahbazian,
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 21, pp.4576-4582, 2011
  43. "Toward a Regional Quantum Description of the Positronic Systems Primary Considerations"
    payam nasertayoob, Mohammad Goli, Shant Shahbazian
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 111, pp.1970-1981, 2011
  44. "The Laplacian of Electron Density versus NICSzz Scan Measuring Magnetic Aromaticity among Molecules with Different Atom Types"
    Cina Foroutan-Nejad, Zahra Badri, Shant Shahbazian, Parviz Rashidi-Ranjbar
    JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 115, pp.12708-12714, 2011
  45. "Reply to the Comment on The electron density vs. NICS scan a new approach to assess aromaticity in molecules with different ring sizes by A. Stanger Phys. Chem. Chem. Phys. 2011 13 DOI 10.1039/c0cp02407d"
    Sina Foroutan Nejad, Shant Shahbazian, Parviz Rashidi-Ranjbar
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 13, pp.12655-12658, 2011
  46. "The Electron Density vs. NICS Scan A New Approach to Assess Aromaticity in Molecules with Different Ring Sizes"
    Shant Shahbazian
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 12, pp.12630-12637, 2010
  47. "Revisiting the foundations of the quantum theory of atoms in moleucles The subsystem variational procedure and the finite nuclear models"
    , Shant Shahbazian
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 110, pp.1188-1196, 2010
  48. "Revisiting the Foundations of Quantum Theory of Atoms in Molecules (QTAIM) The Variational Procedure and the Zero-Flux Conditions"
    Shant Shahbazian,
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 108, pp.1477-1484, 2008
  49. "Atomic basins with more than a single nucleus a theochem fact or a mathematical artifact"
    Shant Shahbazian,
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 894, pp.20-22, 2008
  50. "A Computational Study on Some Viable Targets for Gas-Phase Synthesis of Metal Complexes of the Cyclic (B6C)-2 and Their Bonding Pattern"
    Shant Shahbazian, Shadi Alimohammadi Choshli
    JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 112, pp.10365-10377, 2008
  51. "A Simple and Convenient Strategy for the Synthesis of Tolanophanes Synthesis Characterization and Conformational Analysis of a Novel Tolanophane"
    Khosro Jadidi, Shant Shahbazian
    SUPRAMOLECULAR CHEMISTRY, Vol. 20, pp.327-333, 2008
  52. "The topological analysis of electronic charge densities A reassessment of foundations"
    Shant Shahbazian,
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 869, pp.53-58, 2008
  53. "Revisiting the Foundations of the Quantum Theory of Atoms in Molecules Toward a Rigorous Definition of Topological Atoms"
    Shant Shahbazian,
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 109, pp.726-732, 2008
  54. "An ab initio study of geometry and vibrational spectrum of cyclic (B6C)(-2) The out-of-plane bending problem"
    Shant Shahbazian
    CHEMICAL PHYSICS LETTERS, Vol. 443, pp.147-151, 2007
  55. "Ab initio Post-HF study of electronic charge density distribution of cyclic (B6C)-2 Concrete evidence of a novel bonding pattern"
    Shant Shahbazian,
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 822, pp.116-121, 2007
  56. "Energy Conservation Law"
    Shant Shahbazian
    Vol. 1, pp.1-2, 2016
  57. "Dark Energy"
    Shant Shahbazian
    Vol. 1, pp.1-1, 2016
  58. "Quantum and Energy"
    Shant Shahbazian
    Vol. 1, pp.1-3, 2016
  59. "Zero-point Energy"
    Shant Shahbazian
    Vol. 1, pp.3-5, 2016

Conference Paper

  1. "Extending chemical concepts beyond chemistry: Revealing "Atoms in molecules" and chemical bonds in the positronic and muonic molecules"
    Shant Shahbazian, Mohammad Goli
    IUPAC CCCE 2021 Virtual (Chemistry at the frontiers), pp.584-584, 2021
  2. "The Multi-Component Quantum Theory of Atoms in Molecules (MC-QTAIM) New developments and novel opportunities"
    Shant Shahbazian
    8th conference of modern methods in quantum chemistry, 2015
  3. "the two-component Quantum theory of Atoms in molecules"
    Shant Shahbazian
    TCC012-I, pp.89-90, 2012
  4. "Why bond critical points are not bond critical points"
    Shant Shahbazian
    Seventh Theoretical and Computational Chemistry Workshop, pp.1-1, 2018
  5. "Effective electronic structure theory for partially non-Born-Oppenheimer systems"
    Shant Shahbazian
    , pp.6-6, 2017
  6. ""
    Goli Mohammad, Shant Shahbazian
    23rd IPM Physics Spring Conference, pp.1-3, 2016