Chiral Jahn-Teller Distortion in Quasi-Planar Boron Clusters
Zhao, Dongbo, Zhao, Yilin, Xu, Tianlv, He, Xin, Hu, Shankai, Ayers, Paul W, Liu, Shubin
Published in Molecules (Basel, Switzerland) (01.04.2024)
Published in Molecules (Basel, Switzerland) (01.04.2024)
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Journal Article
The Cis-Effect Explained Using Next-Generation QTAIM
Peng, Yuting, Yu, Wenjing, Feng, Xinxin, Xu, Tianlv, Früchtl, Herbert, van Mourik, Tanja, Kirk, Steven R., Jenkins, Samantha
Published in Molecules (Basel, Switzerland) (18.09.2022)
Published in Molecules (Basel, Switzerland) (18.09.2022)
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Journal Article
QTAIM and Stress Tensor Characterization of Intramolecular Interactions Along Dynamics Trajectories of a Light-Driven Rotary Molecular Motor
Wang, Lingling, Huan, Guo, Momen, Roya, Azizi, Alireza, Xu, Tianlv, Kirk, Steven R, Filatov, Michael, Jenkins, Samantha
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.06.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.06.2017)
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Journal Article
A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motor
Hu, Ming Xing, Xu, Tianlv, Momen, Roya, Huan, Guo, Kirk, Steven R., Jenkins, Samantha, Filatov, Michael
Published in Journal of computational chemistry (05.11.2016)
Published in Journal of computational chemistry (05.11.2016)
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Journal Article
A comparison of QTAIM and the stress tensor for Chirality-Helicity equivalence in S and R stereoisomers
Xu, Tianlv, Kirk, Steven Robert, Jenkins, Samantha
Published in Chemical physics letters (01.01.2020)
Published in Chemical physics letters (01.01.2020)
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Journal Article
The directional bonding of [1.1.1]propellane with next generation QTAIM
Bin, Xin, Xu, Tianlv, Kirk, Steven R., Jenkins, Samantha
Published in Chemical physics letters (01.09.2019)
Published in Chemical physics letters (01.09.2019)
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Journal Article
Mixed chiral and achiral character in substituted ethane: A next generation QTAIM perspective
Li, Zi, Xu, Tianlv, Früchtl, Herbert, van Mourik, Tanja, Kirk, Steven R., Jenkins, Samantha
Published in Chemical physics letters (16.09.2022)
Published in Chemical physics letters (16.09.2022)
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Journal Article
Chiral and steric effects in ethane: A next generation QTAIM interpretation
Li, Zi, Xu, Tianlv, Früchtl, Herbert, van Mourik, Tanja, Kirk, Steven R., Jenkins, Samantha
Published in Chemical physics letters (01.08.2022)
Published in Chemical physics letters (01.08.2022)
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Journal Article
The 3-D bonding morphology of the infra-red active normal modes of benzene
Huang, Wei Jie, Xu, Tianlv, Kirk, Steven R., Jenkins, Samantha
Published in Chemical physics letters (16.10.2018)
Published in Chemical physics letters (16.10.2018)
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Journal Article
Chirality–helicity of cumulenes: A non‐scalar charge density derived perspective
Xing, Hui, Azizi, Alireza, Momen, Roya, Xu, Tianlv, Kirk, Steven R., Jenkins, Samantha
Published in International journal of quantum chemistry (15.05.2022)
Published in International journal of quantum chemistry (15.05.2022)
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Journal Article
QTAIM and stress tensor bond-path framework sets for the ground and excited states of fulvene
Huang, Wei Jie, Xu, Tianlv, Kirk, Steven R., Filatov, Michael, Jenkins, Samantha
Published in Chemical physics letters (01.12.2018)
Published in Chemical physics letters (01.12.2018)
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Journal Article
Non-nuclear attractors in small charged lithium clusters, Limq (m = 2–5, q = ±1), with QTAIM and the Ehrenfest force partitioning
Azizi, Alireza, Momen, Roya, Xu, Tianlv, Kirk, Steven R, Jenkins, Samantha
Published in Physical chemistry chemical physics : PCCP (01.01.2018)
Published in Physical chemistry chemical physics : PCCP (01.01.2018)
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Journal Article
Next generation QTAIM for the design of quinone-based switches
Tian, Tian, Xu, Tianlv, van Mourik, Tanja, Früchtl, Herbert, Kirk, Steven R., Jenkins, Samantha
Published in Chemical physics letters (01.05.2019)
Published in Chemical physics letters (01.05.2019)
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Journal Article
The chirality of isotopomers of glycine compared using next‐generation QTAIM
Nie, Xing, Yang, Yong, Xu, Tianlv, Biczysko, Malgorzata, Kirk, Steven R., Jenkins, Samantha
Published in International journal of quantum chemistry (05.08.2022)
Published in International journal of quantum chemistry (05.08.2022)
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Journal Article