Roya Momen

发表

The role of weak interactions in characterizing peptide folding preferences using a QTAIM interpretation of the Ramachandran plot (ϕ-ψ)

S. Manzhos, Wenxuan Li, S. Jenkins, 2017, 1706.05658.

Next‐generation quantum theory of atoms in molecules for the S 1 /S 0 conical intersections in dynamics trajectories of a light‐driven rotary molecular motor

M. Filatov, S. Jenkins, S. Kirk, 2019, International Journal of Quantum Chemistry.

New insights of QTAIM and stress tensor to finding non-competitive/competitive torquoselectivity of cyclobutene.

Xiaobo Ji, Mehdi Pazhoohesh, Roya Momen, 2021, The Journal of chemical physics.

Discerning torquoselectivity in a series of cyclobutene ring‐opening reactions using quantum theory of atoms in molecules and stress tensor

Xiaobo Ji, Mehdi Pazhoohesh, Roya Momen, 2021, International Journal of Quantum Chemistry.

A vector-based representation of the chemical bond for predicting competitive and noncompetitive torquoselectivity of thermal ring-opening reactions

S. Jenkins, S. Kirk, Roya Momen, 2018, International Journal of Quantum Chemistry.

High content anion (S/Se/P) doping assisted by defect engineering with fast charge transfer kinetics for high-performance sodium ion capacitors.

Xiaobo Ji, Jun Chen, Xinglan Deng, 2021, Science bulletin.

Application of carbon quantum dots in supercapacitors: A mini review

Jiafu Xiao, Roya Momen, Chan Liu, 2021, Electrochemistry Communications.

A stress tensor eigenvector projection space for the (H 2 O) 5 potential energy surface

D. Wales, S. Jenkins, S. Kirk, 2017 .

New Insights to Understand the CoMFA Analysis within the Density Functional Theory Framework

Roya Momen, A. Morales-Bayuelo, 2021, Journal of Biomedical Research & Environmental Sciences.

Functional carbon materials processed by NH3 plasma for advanced full-carbon sodium-ion capacitors

Xiaobo Ji, Liwen Yang, Xinglan Deng, 2021 .

Few-layer bismuthene enabled solid-state Li batteries

Xiaobo Ji, W. Deng, Guoqiang Zou, 2022, Energy Storage Materials.

MnO2 Nanowires Anchored with Graphene Quantum Dots for Stable Aqueous Zinc-Ion Batteries

Xiaobo Ji, X. Gao, Guoqiang Zou, 2021, ACS Applied Energy Materials.

General overview of sodium, potassium, and zinc-ion capacitors

Xiaobo Ji, X. Gao, W. Deng, 2022, Journal of Alloys and Compounds.

High‐Yield Carbon Dots Interlayer for Ultra‐Stable Zinc Batteries

Xiaobo Ji, Guoqiang Zou, Hongshuai Hou, 2022, Advanced Energy Materials.

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

S. Jenkins, S. Kirk, Roya Momen, 2022, International Journal of Quantum Chemistry.

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

Yasuteru Shigeta, Tianlv Xu, Roya Momen, 2019, Journal of the American Chemical Society.

Chirality-Helicity of Cumulenes: A Non-Scalar Charge Density Derived Perspective

H. Xing, S. Jenkins, S. Kirk, 2021, International Journal of Quantum Chemistry.

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

Tianlv Xu, Roya Momen, Samantha Jenkins, 2018 .

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

Tianlv Xu, Roya Momen, Samantha Jenkins, 2017 .

Distinguishing and quantifying the torquoselectivity in competitive ring‐opening reactions using the stress tensor and QTAIM

Lingling Wang, Ping Yang, Tianlv Xu, 2016, J. Comput. Chem..

Next‐generation QTAIM for scoring molecular wires in E‐fields for molecular electronic devices

Tanja Van Mourik, Roya Momen, Herbert Früchtl, 2019, J. Comput. Chem..

Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules: Excited State Photochemical Reaction Path from Benzene to Benzvalene.

M. Paterson, Thomas Malcomson, S. Jenkins, 2019, The journal of physical chemistry. A.

A 3‐D bonding perspective of the factors influencing the relative stability of the S1/S0conical intersections of the penta‐2,4‐dieniminium cation (PSB3)

M. Filatov, S. Jenkins, S. Kirk, 2019, International Journal of Quantum Chemistry.

The destabilization of hydrogen bonds in an external E‐field for improved switch performance

Tianlv Xu, Roya Momen, Alireza Azizi, 2019, J. Comput. Chem..

A stress tensor and QTAIM perspective on the substituent effects of biphenyl subjected to torsion

Yuning Xu, Tianlv Xu, Roya Momen, 2016, J. Comput. Chem..

3-D bond-paths of QTAIM and the stress tensor in neutral lithium clusters, Lim (m = 2-5), presented on the Ehrenfest force molecular graph.

S. Jenkins, S. Kirk, Roya Momen, 2019, Physical chemistry chemical physics : PCCP.

Next-generation quantum theory of atoms in molecules for the ground and excited states of fulvene

M. Filatov, S. Jenkins, S. Kirk, 2018, International Journal of Quantum Chemistry.

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

Lingling Wang, Tianlv Xu, Roya Momen, 2017, The journal of physical chemistry. A.

Exploration of the forbidden regions of the Ramachandran plot (ϕ-ψ) with QTAIM.

Sergei Manzhos, Tianlv Xu, Roya Momen, 2017, Physical chemistry chemical physics : PCCP.

Trapping Lithium Selenides with Evolving Heterogeneous Interfaces for High-Power Lithium-Ion Capacitors.

Xiaobo Ji, W. Deng, Guoqiang Zou, 2023, Small.

Metal–Organic Framework Materials for Electrochemical Supercapacitors

Xiaobo Ji, W. Deng, Guoqiang Zou, 2022, Nano-Micro Letters.

Ultra-Low-Dose Pre-Metallation Strategy Served for Commercial Metal-Ion Capacitors

Xiaobo Ji, W. Deng, Xinglan Deng, 2022, Nano-Micro Letters.

Advanced Pre‐Diagnosis Method of Biomass Intermediates Toward High Energy Dual‐Carbon Potassium‐Ion Capacitor

Xiaobo Ji, Liwen Yang, W. Deng, 2021, Advanced Energy Materials.

Suppressing the voltage failure by twinned heterostructure for high power sodium-ion capacitor

Xiaobo Ji, W. Deng, Xinglan Deng, 2022, Chemical Engineering Journal.

Ultra-Low-Dose Pre-Metallation Strategy Served for Commercial Metal-Ion Capacitors

Xiaobo Ji, W. Deng, Xinglan Deng, 2022, Nano-Micro Letters.

Cationic-potential tuned biphasic layered cathodes for stable desodiation/sodiation.

Yong‐Mook Kang, Xiaobo Ji, Weifeng Wei, 2022, Science bulletin.

Evaluation of mechanical properties of multilayer graphyne-based structures as anode materials for lithium-ions batteries

Xiaobo Ji, Hongshuai Hou, R. Rezaee, 2022, The European Physical Journal Plus.

A Vector-Based Representation of the Chemical Bond for the Ground and Excited States of Fulvene

M. Filatov, S. Jenkins, S. Kirk, 2018 .

Element Substitution for Spinel LiMn2O4 Cathode

Xiaobo Ji, W. Deng, Jun Chen, 2021, Journal of Materials Chemistry A.

A QTAIM exploration of the competition between hydrogen and halogen bonding in halogenated 1-methyluracil: water systems

T. Mourik, S. Jenkins, S. Kirk, 2016 .

Non-nuclear attractors in small charged lithium clusters, Limq (m = 2-5, q = ±1), with QTAIM and the Ehrenfest force partitioning.

S. Jenkins, S. Kirk, Roya Momen, 2018, Physical chemistry chemical physics : PCCP.

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

Mingxing Hu, Tianlv Xu, Roya Momen, 2016, J. Comput. Chem..

Discerning Torquoselectivity of Non-Competitive and Competitive Ring-Opening Reactions Using QTAIM and Stress Tensor

Xiaobo Ji, Roya Momen, Alireza Azizi, 2021 .

Isomerization of the RPSB chromophore in the gas phase along the torsional pathways using QTAIM

M. Filatov, S. Jenkins, S. Kirk, 2017 .

QTAIM and stress tensor interpretation of the (H2O)5 potential energy surface

Yuning Xu, Tianlv Xu, Roya Momen, 2016, J. Comput. Chem..

High Ionic Conductivity Motivated by Multiple Ion‐Transport Channels in 2D MOF‐Based Lithium Solid State Battery

Xiaobo Ji, W. Deng, Guoqiang Zou, 2023, Advanced Functional Materials.

Non-nuclear attractors in small charged lithium clusters, Limq (m = 2-5, q = ±1), with QTAIM and the Ehrenfest force partitioning.

S. Jenkins, S. Kirk, Roya Momen, 2018, Physical chemistry chemical physics : PCCP.

Advanced cathode materials for metal ion hybrid capacitors: Structure and mechanisms

Xiaobo Ji, W. Deng, Guoqiang Zou, 2024, Coordination Chemistry Reviews.