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Chiral Jahn–Teller Distortion in Quasi-Planar Boron Clusters.
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- Molecules, 2024, v. 29, n. 7, p. 1624, doi. 10.3390/molecules29071624
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- Article
Response of the mechanical and chiral character of ethane to ultra‐fast laser pulses.
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- Journal of Computational Chemistry, 2024, v. 45, n. 3, p. 150, doi. 10.1002/jcc.27225
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Influence of an electric‐field on the topological stability of the neutral lithium dimer.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27180
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Scoring molecular wires subject to an ultrafast laser pulse for molecular electronic devices.
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- Journal of Computational Chemistry, 2023, v. 44, n. 21, p. 1776, doi. 10.1002/jcc.27126
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- Article
Controlling Achiral and Chiral Properties with an Electric Field: A Next-Generation QTAIM Interpretation.
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- Symmetry (20738994), 2022, v. 14, n. 10, p. N.PAG, doi. 10.3390/sym14102075
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The Cis -Effect Explained Using Next-Generation QTAIM.
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- Molecules, 2022, v. 27, n. 18, p. 6099, doi. 10.3390/molecules27186099
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The chirality of isotopomers of glycine compared using next‐generation QTAIM.
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- International Journal of Quantum Chemistry, 2022, v. 122, n. 15, p. 1, doi. 10.1002/qua.26917
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Chirality–helicity of cumulenes: A non‐scalar charge density derived perspective.
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- International Journal of Quantum Chemistry, 2022, v. 122, n. 10, p. 1, doi. 10.1002/qua.26884
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Corrigendum: Chirality without Stereoisomers: Insight from the Helical Response of Bond Electrons.
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- ChemPhysChem, 2022, v. 23, n. 5, p. 1, doi. 10.1002/cphc.202200032
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Next generation quantum theory of atoms in molecules for the design of emitters exhibiting thermally activated delayed fluorescence with laser irradiation.
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- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 206, doi. 10.1002/jcc.26783
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Control of chirality, bond flexing and anharmonicity in an electric field.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 22, p. 1, doi. 10.1002/qua.26793
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- Article
Chirality without Stereoisomers: Insight from the Helical Response of Bond Electrons.
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- ChemPhysChem, 2021, v. 22, n. 19, p. 1989, doi. 10.1002/cphc.202100397
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- Article
Bond flexing, twisting, anharmonicity and responsivity for the infrared‐active modes of benzene.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 8, p. 1, doi. 10.1002/qua.26584
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- Article
Fatigue and fatigue resistance in S<sub>1</sub> excited state diarylethenes in electric fields.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 6, p. 1, doi. 10.1002/qua.26527
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- Article
Flip rearrangement in the water pentamer: Analysis of electronic structure.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26124
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- Article
Next‐generation quantum theory of atoms in molecules for the S<sub>1</sub>/S<sub>0</sub> conical intersections in dynamics trajectories of a light‐driven rotary molecular motor.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 1, p. N.PAG, doi. 10.1002/qua.26062
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Next‐generation quantum theory of atoms in molecules for the photochemical ring‐opening reactions of oxirane.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 16, p. N.PAG, doi. 10.1002/qua.25957
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Halogen and Hydrogen Bonding in Halogenabenzene/NH3 Complexes Compared Using Next-Generation QTAIM.
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- Molecules, 2019, v. 24, n. 16, p. 2875, doi. 10.3390/molecules24162875
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- Article
The destabilization of hydrogen bonds in an external E‐field for improved switch performance.
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- Journal of Computational Chemistry, 2019, v. 40, n. 21, p. 1881, doi. 10.1002/jcc.25843
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A 3‐D bonding perspective of the factors influencing the relative stability of the S<sub>1</sub>/S<sub>0</sub> conical intersections of the penta‐2,4‐dieniminium cation (PSB3).
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 11, p. N.PAG, doi. 10.1002/qua.25903
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Next‐generation quantum theory of atoms in molecules for the ground and excited state of the ring‐opening of cyclohexadiene.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25862
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Stress tensor eigenvector following with next‐generation quantum theory of atoms in molecules.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25847
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Next‐generation quantum theory of atoms in molecules for the ground and excited states of fulvene.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25768
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A vector‐based representation of the chemical bond for predicting competitive and noncompetitive torquoselectivity of thermal ring‐opening reactions.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 20, p. N.PAG, doi. 10.1002/qua.25707
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A vector‐based representation of the chemical bond for the normal modes of benzene.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 19, p. 1, doi. 10.1002/qua.25698
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Quinone‐based switches for candidate building blocks of molecular junctions with QTAIM and the stress tensor.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 16, p. 1, doi. 10.1002/qua.25676
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Fatigue and photochromism S<sub>1</sub> excited state reactivity of diarylethenes from QTAIM and the stress tensor.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25565
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The role of weak interactions in characterizing peptide folding preferences using a QTAIM interpretation of the Ramachandran plot (ϕ-ψ).
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 2, p. n/a, doi. 10.1002/qua.25456
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QTAIM and stress tensor interpretation of the (H<sub>2</sub>O)<sub>5</sub> potential energy surface.
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- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2712, doi. 10.1002/jcc.24498
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Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM.
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- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2722, doi. 10.1002/jcc.24499
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A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motor.
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- Journal of Computational Chemistry, 2016, v. 37, n. 29, p. 2588, doi. 10.1002/jcc.24487
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A QTAIM and stress tensor perspective of large-amplitude motions of the tetrasulfur tetranitride S<sub>4</sub>N<sub>4</sub> molecular graph.
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- International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 1025, doi. 10.1002/qua.25122
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Biphenyl: A stress tensor and vector-based perspective explored within the quantum theory of atoms in molecules.
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 23, p. 1678, doi. 10.1002/qua.25006
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Quantum topological resolution of catalyst proficiency.
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 14, p. 875, doi. 10.1002/qua.24922
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