EMPIRE:a highly parallel semiempirical molecular orbital program. 1 : self-consistent field calculations [PDF]
, 2014 Clark, Timothy, Hennemann, Matthias
core +2 more sources
Bacterial reaction centers with plant type pheophytins [PDF]
, 1992 Breton, J. +3 more
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Self-consistent field convergence for proteins:a comparison of full and localized-molecular-orbital schemes [PDF]
, 2014 Clark, Tim +3 more
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Topological classification of cycloadditions occurring on-surface and in the solid-state. [PDF]
Commun ChemLi J +15 more
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Modulating Quantum Interference in Coronene-Based Molecular Junctions via Isoelectronic B-N Substitution at Selective Positions and Patterns. [PDF]
J Phys Chem LettAhmed R, Leitherer S, Solomon GC.
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Topological Ring Currents in Open-Shell Homologues of Clar's Goblet and Triangulene. [PDF]
J Phys Chem ADickens TK, Mallion RB.
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Effect of size, charge, and spin state on Hückel and Baird aromaticity in [<i>N</i>]annulenes. [PDF]
Chem SciVan Nyvel L, Alonso M, Solà M.
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Interpreting Ring Currents from Hückel-Guided σ- and π-Electron Delocalization in Small Boron Rings. [PDF]
MoleculesSacanamboy DS +6 more
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Perturbing Pentalene: Aromaticity and Antiaromaticity in a Non-Alternant Polycyclic Aromatic Hydrocarbon and BN-Heteroanalogues. [PDF]
ChemphyschemAnstöter CS, Fowler PW.
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Deciphering the molecular origin of the 19.3 eV electronic excitation energy of H<sub>3</sub>. [PDF]
Chem SciToldo JM +4 more
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