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Chiral Jahn-Teller Distortion in Quasi-Planar Boron Clusters

Molecules (Basel, Switzerland), 2024-04, Vol.29 (7), p.1624

2024

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The Cis-Effect Explained Using Next-Generation QTAIM

Molecules (Basel, Switzerland), 2022-09, Vol.27 (18), p.6099

2022

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QTAIM and Stress Tensor Characterization of Intramolecular Interactions Along Dynamics Trajectories of a Light-Driven Rotary Molecular Motor

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-06, Vol.121 (25), p.4778-4792

2017

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Halogen and Hydrogen Bonding in Halogenabenzene/NH3 Complexes Compared Using Next-Generation QTAIM

Molecules (Basel, Switzerland), 2019-08, Vol.24 (16), p.2875

2019

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A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motor

Journal of computational chemistry, 2016-11, Vol.37 (29), p.2588-2596

2016

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Controlling Achiral and Chiral Properties with an Electric Field: A Next-Generation QTAIM Interpretation

Symmetry (Basel), 2022-10, Vol.14 (10), p.2075

2022

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A comparison of QTAIM and the stress tensor for Chirality-Helicity equivalence in S and R stereoisomers

Chemical physics letters, 2020-01, Vol.738, p.136907, Article 136907

2020

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The directional bonding of [1.1.1]propellane with next generation QTAIM

Chemical physics letters, 2019-09, Vol.730, p.506-512

2019

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Chiral and steric effects in ethane: A next generation QTAIM interpretation

Chemical physics letters, 2022-08, Vol.800, p.139669, Article 139669

2022

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Mixed chiral and achiral character in substituted ethane: A next generation QTAIM perspective

Chemical physics letters, 2022-09, Vol.803, p.139762, Article 139762

2022

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The 3-D bonding morphology of the infra-red active normal modes of benzene

Chemical physics letters, 2018-10, Vol.710, p.31-38

2018

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Chirality–helicity of cumulenes: A non‐scalar charge density derived perspective

International journal of quantum chemistry, 2022-05, Vol.122 (10), p.n/a

2022

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Understanding chemical coupling in cyclic versus compact water clusters with the Ehrenfest Force

Chemical physics letters, 2021-10, Vol.781, p.138983, Article 138983

2021

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QTAIM and stress tensor bond-path framework sets for the ground and excited states of fulvene

Chemical physics letters, 2018-12, Vol.713, p.125-131

2018

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Chirality–Helicity Equivalence in the S and R Stereoisomers: A Theoretical Insight

Journal of the American Chemical Society, 2019-04, Vol.141 (13), p.5497-5503

2019

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Next-generation quantum theory of atoms in molecules for the ground and excited state of DHCL

Chemical physics letters, 2019-02, Vol.717, p.91-98

2019

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Fatigue and photochromism S1 excited state reactivity of diarylethenes from QTAIM and the stress tensor

International journal of quantum chemistry, 2018-07, Vol.118 (13), p.n/a

2018

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Stress tensor eigenvector following with next‐generation quantum theory of atoms in molecules

International journal of quantum chemistry, 2019-04, Vol.119 (7), p.n/a

2019

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Fatigue and photochromism S 1 excited state reactivity of diarylethenes from QTAIM and the stress tensor

International journal of quantum chemistry, 2018-07, Vol.118 (13)

2018

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Fatigue and fatigue resistance in S 1 excited state diarylethenes in electric fields

International journal of quantum chemistry, 2021-03, Vol.121 (6)

2021

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The normal modes of vibration of benzene from the trajectories of stress tensor eigenvector projection space

Chemical physics letters, 2017-06, Vol.677, p.156-161

2017

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Bond flexing, twisting, anharmonicity and responsivity for the infrared‐active modes of benzene

International journal of quantum chemistry, 2021-04, Vol.121 (8), p.n/a

2021

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Next generation QTAIM for the design of quinone-based switches

Chemical physics letters, 2019-05, Vol.722, p.110-118

2019

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Explanation of the role of hydrogen bonding in the structural preferences of small molecule conformers

Chemical physics letters, 2019-09, Vol.730, p.206-212

2019

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The ICis/I-Effect Explained Using Next-Generation QTAIM

Molecules (Basel, Switzerland), 2022-09, Vol.27 (18)

2022

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Chiral Jahn-Teller Distortion in Quasi-Planar Boron Clusters

The Cis-Effect Explained Using Next-Generation QTAIM

QTAIM and Stress Tensor Characterization of Intramolecular Interactions Along Dynamics Trajectories of a Light-Driven Rotary Molecular Motor

Halogen and Hydrogen Bonding in Halogenabenzene/NH3 Complexes Compared Using Next-Generation QTAIM

A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motor

Controlling Achiral and Chiral Properties with an Electric Field: A Next-Generation QTAIM Interpretation

A comparison of QTAIM and the stress tensor for Chirality-Helicity equivalence in S and R stereoisomers

The directional bonding of [1.1.1]propellane with next generation QTAIM

Chiral and steric effects in ethane: A next generation QTAIM interpretation

Mixed chiral and achiral character in substituted ethane: A next generation QTAIM perspective

The 3-D bonding morphology of the infra-red active normal modes of benzene

Chirality–helicity of cumulenes: A non‐scalar charge density derived perspective

Understanding chemical coupling in cyclic versus compact water clusters with the Ehrenfest Force

QTAIM and stress tensor bond-path framework sets for the ground and excited states of fulvene

Chirality–Helicity Equivalence in the S and R Stereoisomers: A Theoretical Insight

Next-generation quantum theory of atoms in molecules for the ground and excited state of DHCL

Fatigue and photochromism S1 excited state reactivity of diarylethenes from QTAIM and the stress tensor

Stress tensor eigenvector following with next‐generation quantum theory of atoms in molecules

Fatigue and photochromism S 1 excited state reactivity of diarylethenes from QTAIM and the stress tensor

Fatigue and fatigue resistance in S 1 excited state diarylethenes in electric fields

The normal modes of vibration of benzene from the trajectories of stress tensor eigenvector projection space

Bond flexing, twisting, anharmonicity and responsivity for the infrared‐active modes of benzene

Next generation QTAIM for the design of quinone-based switches

Explanation of the role of hydrogen bonding in the structural preferences of small molecule conformers

The ICis/I-Effect Explained Using Next-Generation QTAIM

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