Counterintuitive Orbital Mixing in Semiempirical and ab Initio Molecular Orbital Calculations

Keywords

Citation, Counterintuitive, Ab initio, Social media, Mixing (physics)

References

No references recorded for this paper.

Cited by

• The Origin of the Improvement of Dielectric Property in the Modulated Structures: Electronic Structure StudyJ. D. Kim — 2005
• The electronic structure of vanadium antimonate: A theoretical studyBeatriz Irigoyen, A. Juan, Susana A. Larrondo — 2005
• SmF4-6 conformation caused by 5d-2p orbital interactionsRichard Dronskowski, Jürgen Köhler, Jeffrey R. Long — 1993
• Properties of a New 58-Electron Butterfly [Pt4(μ2-dpam)3(μ2-CO)3(η1-dpam)]2+ ClusterTianle Zhang, M. Drouin, Pierre D. Harvey — 1998
• Computational Nanoscience: Applications for Molecules, Clusters, and SolidsK. Varga, Joseph A. Driscoll — 2011
• Factors affecting the magnitude of the metal-insulator transition temperature in AMo4O6 (A=K, Sn)Dongwoon Jung — 2004
• Quantum dissipative dynamics of electrons in tailored molecular systems and of excitons in biomolecular systemsMujica Martinez, César Augusto — 2014
• Heterocycles as ligands: XIX. The electronic structure of 1,1′-diazametallocenes and the synthesis and crystal structure of 2,2′,5,5′-tetra-tert-butyl-1,1′-diazanickeloceneNorbert Kühn, Gerald Henkel, Jörg Kreutzberg — 1993
• Role of the oxygen content in TlBa1.2 La0.8 CuO5 + ? superconductorsMing Li — 1996
• Reaktive π-Komplexe der elektronenreichen ÜbergangsmetalleAngelika S. Funhoff, Hartmut Schäufele, Ulrich Zenneck — 1988
• Thiophene adsorption studies on clean and hydrogen-preadsorbed MoS2(100) surfaceM. Jayamurthy, S. Vasudevan — 1997
• Mercury and cadmium pnictidehalides: the inverted Zintl phasesАndrei V. Shevelkov, Michael Shatruk — 2001
• Dirac Point Resonances due to Atoms and Molecules Adsorbed on GrapheneGeorge Kirczenow, S. Ihnatsenka — 2010
• How well does the Hartree–Fock model predict equilibrium geometries of transition metal complexes? Large‐scale LCAO–SCF studies on ferrocene and decamethylferroceneHans Peter Lüthi, J. H. Ammeter, Jan Almløf — 1982
• Electronic Transport in Metallic Carbon Nanotubes with Metal ContactsAndreas Zienert — 2012
• Reaktive π-Komplexe der elektronenreichen Übergangsmetalle: XIII. η6-Hexalkylbenzol)(η4naphthalin)eisen-Komplexe: Synthese, Eigenschaften, Struktur und ReaktivitätCatherine Brodt, Shuqiang Niu, Hans Pritzkow — 1993
• Molecular dynamics simulations of dense plasmasLaurie Collins, Joel D. Kress, I. Kwon — 1993
• Th3Co3Sb4: A New Room Temperature MagnetS. Sportouch, Mercouri G. Kanatzidis — 2001
• A molecular-orbital picture of thiophene hydrodesulfurizationReinaldo Pis Diez, Alicia H. Jubert — 1992
• Communication: Identification of the molecule-metal bonding geometries of molecular nanowires.Firuz Demir, George Kirczenow — 2011

Related papers

• Inhibitory control and counterintuitive science and maths reasoning in adolescenceAnnie Brookman‐Byrne, Denis Mareschal, Andrew Tolmie — 2018
• Challenging a Common Assumption of Hands-on ExhibitsJoshua P. Gutwill — 2008
• Children’s Pursuit of Counterintuitive Information in BooksJonathan D. Lane, Samuel Ronfard — 2023
• Imagery Effects on Recall of Minimally Counterintuitive ConceptsD. Jason Slone, Lauren O. Gonce, Afzal Upal — 2007
• An Introduction to AltmetricsTara Brigham — 2014
• Counterintuitiveness in Folktales: Finding the Cognitive OptimumJustin L. Barrett, Emily Burdett, Tenelle Porter — 2009
• Do Altmetrics Work? Twitter and Ten Other Social Web ServicesMike Thelwall, Stefanie Haustein, Vincent Larivière — 2013