Yirong Mo

ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 54

Top Venues

Chemistry (Weinheim an der Bergstrasse, Germany)

Journal of computational chemistry

Inorganic chemistry

The journal of physical chemistry. A

University of North Carolina at Greensboro

Xiamen University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of North Carolina at Greensboro Aug 01 2020

United States

Professor :: Nanoscience

Education History

Xiamen University Sep 01 1982 - Dec 25 1992

China

PHD :: Chemistry

Publications

Xinru Peng, Jiayao Li, Jing-Shuang Dang, Shiwei Yin, Hengyan Zheng, Changwei Wang, Yirong Mo
Conformational Preference of Lithium Polysulfide Clusters Li 2 S x ( x = 4-8) in Lithium-Sulfur Batteries. Inorganic chemistry 63 (10) (2024)
Xinru Peng, Jiayao Li, Jing-Shuang Dang, Shiwei Yin, Hengyan Zheng, Changwei Wang, Yirong Mo
Conformational Preference of Lithium Polysulfide Clusters Li 2 S x ( x = 4-8) in Lithium-Sulfur Batteries. Inorganic chemistry 63 (10) (2024)
Kyle I Williamson, Daniel J C Herr, Yirong Mo
Mapping the correlations between bandgap, HOMO, and LUMO trends for meta substituted Zn-MOFs. Journal of computational chemistry (2024)
Xuhui Lin, Xiaoli Lu, Shenghui Tang, Wei Wu, Yirong Mo
Multiconfigurational actinide nitrides assisted by double Möbius aromaticity. Chemical science 15 (21) (2024)
Kyle I Williamson, Daniel J C Herr, Yirong Mo
Mapping the correlations between bandgap, HOMO, and LUMO trends for meta substituted Zn-MOFs. Journal of computational chemistry 45 (25) (2024)
Govindan Subramanian, Kanika Manchanda, Yirong Mo, Rohit Y Sathe, Prasad V Bharatam
Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside. Journal of computational chemistry 45 (28) (2024)
Xinru Peng, Jiayao Li, Jing-Shuang Dang, Shiwei Yin, Hengyan Zheng, Changwei Wang, Yirong Mo
Conformational Preference of Lithium Polysulfide Clusters Li 2 S x ( x = 4-8) in Lithium-Sulfur Batteries. Inorganic chemistry (2024)
Govindan Subramanian, Kanika Manchanda, Yirong Mo, Rohit Y Sathe, Prasad V Bharatam
Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside. Journal of computational chemistry 45 (28) (2024)
Xuhui Lin, Xiaoli Lu, Shenghui Tang, Wei Wu, Yirong Mo
Multiconfigurational actinide nitrides assisted by double Möbius aromaticity. Chemical science 15 (21) (2024)
Govindan Subramanian, Kanika Manchanda, Yirong Mo, Rohit Y Sathe, Prasad V Bharatam
Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside. Journal of computational chemistry (2024)
Xinru Peng, Jiayao Li, Jing-Shuang Dang, Shiwei Yin, Hengyan Zheng, Changwei Wang, Yirong Mo
Conformational Preference of Lithium Polysulfide Clusters Li 2 S x ( x = 4-8) in Lithium-Sulfur Batteries. Inorganic chemistry 63 (10) (2024)
Jiayao Li, Changwei Wang, Yirong Mo
Selectivity Rule of Cryptands for Anions: Molecular Rigidity and Bonding Site. Chemistry (Weinheim an der Bergstrasse, Germany) 29 (16) (2023)
Pravalika Butreddy, Manoj Wijesingha, Selina Laws, Gayani Pathiraja, Yirong Mo, Hemali Rathnayake
Insight into the Isoreticularity of Li-MOFs for the Design of Low-Density Solid and Quasi-Solid Electrolytes. Chemistry of materials : a publication of the American Chemical Society 35 (23) (2023)
Jiayao Li, Changwei Wang, Yirong Mo
Selectivity Rule of Cryptands for Anions: Molecular Rigidity and Bonding Site. Chemistry (Weinheim an der Bergstrasse, Germany) 29 (16) (2023)
Huaiyu Zhang, Yating Wang, Qingrui Lu, Jinshuai Song, Yandong Duan, Yanli Zeng, Yirong Mo
Captodative Effect Facilitates the Excitation in Diboron Molecule (CAAC) 2 B 2 (SH) 2 . Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Xuhui Lin, Wei Wu, Yirong Mo
Planar Four-Membered Diboron Actinide Compound with Double Möbius Aromaticity. Journal of the American Chemical Society (2023)
Pravalika Butreddy, Manoj Wijesingha, Selina Laws, Gayani Pathiraja, Yirong Mo, Hemali Rathnayake
Insight into the Isoreticularity of Li-MOFs for the Design of Low-Density Solid and Quasi-Solid Electrolytes. Chemistry of materials : a publication of the American Chemical Society 35 (23) (2023)
Jiayao Li, Qiuyan Feng, Changwei Wang, Yirong Mo
On the nature of inter-anion coinage bonds. Physical chemistry chemical physics : PCCP (2023)
Xuhui Lin, Weiqin Tian, Wei Wu, Yirong Mo
Evidence for π CHR →d M bonding in transition metal carbene compounds (L n MCHR) and its decisive role in the α-agostic effect. Physical chemistry chemical physics : PCCP 24 (38) (2022)
Yirong Mo, David Danovich, Sason S Shaik
Correction to: The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods. Journal of molecular modeling 28 (10) (2022)
Xuhui Lin, Yirong Mo
On the Bonding Nature in the Crystalline Tri-Thorium Cluster: Core-Shell Syngenetic σ-Aromaticity. Angewandte Chemie (International ed. in English) 61 (37) (2022)
Dan Fan, Juan Du, Jingshuang Dang, Changwei Wang, Yirong Mo
The strength and selectivity of perfluorinated nano-hoops and buckybowls for anion binding and the nature of anion-π interactions. Journal of computational chemistry (2022)
Yirong Mo, David Danovich, Sason S Shaik
The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods. Journal of molecular modeling 28 (9) (2022)
Jiayao Li, Changwei Wang, Yirong Mo
Selectivity Rule of Cryptands for Anions: Molecular Rigidity and Bonding Site. Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Xuhui Lin, Yirong Mo
Partial Double Metal-Carbon Bonding Model in Transition Metal Methyl Compounds. Inorganic chemistry 61 (6) (2022)
Yue Zhang, Yirong Mo, Zexing Cao
Rational Design of Main Group Metal-Embedded Nitrogen-Doped Carbon Materials as Frustrated Lewis Pair Catalysts for CO 2 Hydrogenation to Formic Acid. ACS applied materials & interfaces 14 (1) (2021)
Chuan-Kai Tang, Ya-Zhou Li, Fang Ma, Zexing Cao, Yirong Mo
Anti-Electrostatic Main Group Metal-Metal Bonds That Activate CO2. The journal of physical chemistry letters 12 (31) (2021)
Dan Fan, Li Chen, Changwei Wang, Shiwei Yin, Yirong Mo
Inter-anion chalcogen bonds: Are they anti-electrostatic in nature? The Journal of chemical physics 155 (23) (2021)
Sheeba Dawood, Surabhi Shaji, Gayani Pathiraja, Yirong Mo, Hemali Rathnayake
Molecular magnetism in nanodomains of isoreticular MIL-88(Fe)-MOFs. Physical chemistry chemical physics : PCCP 23 (38) (2021)
Yazhou Li, Xuhui Lin, Fang Ma, Yirong Mo
Computational Study of CO2 Reduction Catalyzed by Iron(I) Complex at Different Spin States: Cooperativity of Hydrogen Bonding and Auxiliary Group Effect. ACS omega 6 (47) (2021)
Brandon Inscoe, Hemali Rathnayake, Yirong Mo
Role of Charge Transfer in Halogen Bonding. The journal of physical chemistry. A 125 (14) (2021)
Li Chen, Qiuyan Feng, Changwei Wang, Shiwei Yin, Yirong Mo
Classical Electrostatics Remains the Driving Force for Interanion Hydrogen and Halogen Bonding. The journal of physical chemistry. A 125 (48) (2021)
Yuwei Zhang, Caiyun Zhang, Yirong Mo, Zexing Cao
Planar Tetracoordinate Silicon in Organic Molecules As Carbenoid-Type Amphoteric Centers: A Computational Study. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (4) (2020)
Huaiyu Zhang, Rui Yuan, Wei Wu, Yirong Mo
Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (12) (2020)
Juan Du, Changwei Wang, Shiwei Yin, Wenliang Wang, Yirong Mo
Resonance-assisted/impaired anion-π interaction: towards the design of novel anion receptors. RSC advances 10 (59) (2020)
Xuhui Lin, Yirong Mo
Resonance-Assisted but Antielectrostatic Intramolecular Au···H-O Hydrogen Bonding in Gold(I) Complexes: A Computational Verification. Inorganic chemistry 60 (1) (2020)
Huaiyu Zhang, Rui Yuan, Wei Wu, Yirong Mo
Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (12) (2020)
Mengyu Qi, Chuankai Tang, Zhongjun Zhou, Fang Ma, Yirong Mo
Electride-Sponsored Radical-Controlled CO2 Reduction to Organic Acids: A Computational Design. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (28) (2020)
C J Smith, Anna K Huff, Huaiyu Zhang, Yirong Mo, Kenneth R Leopold
A strong dependence of the CH3 internal rotation barrier on conformation in thioacetic acid: Microwave measurements and an energy decomposition analysis. The Journal of chemical physics 150 (13) (2019)
Changwei Wang, Yirong Mo
Classical Electrostatic Interaction Is the Origin for Blue-Shifting Halogen Bonds. Inorganic chemistry 58 (13) (2019)
Xuhui Lin, Wei Wu, Yirong Mo
Agostic Interactions in Early Transition-Metal Complexes: Roles of Hyperconjugation, Dispersion, and Steric Effect. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (26) (2019)
Xuhui Lin, Wei Wu, Yirong Mo
How Resonance Modulates Multiple Hydrogen Bonding in Self-Assembled Systems. The Journal of organic chemistry 84 (22) (2019)
Congjie Zhang, Fan Fan, Zhimin Wang, Jinshuai Song, Chunsen Li, Yirong Mo
B-Heterocyclic Carbene Arising from Charge Shift: A Computational Verification. Chemistry (Weinheim an der Bergstrasse, Germany) (2018)
Xuhui Lin, Wei Wu, Kenneth B Wiberg, Yirong Mo
Role of Intramolecular Electron Delocalization in the C-X Bond Strength in CH4-nX n ( n = 0-4, X = F, Cl, CN, OCH3). The journal of physical chemistry. A 122 (38) (2018)
Changwei Wang, David Danovich, Sason S Shaik, Wei Wu, Yirong Mo
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions. Journal of computational chemistry 40 (9) (2018)
Huaiyu Zhang, Zexing Cao, Wei Wu, Yirong Mo
The Transition-Metal-Like Behavior of B2 (NHC)2 in the Activation of CO: HOMO-LUMO Swap Without Photoinduction. Angewandte Chemie (International ed. in English) 57 (40) (2018)
Xuhui Lin, Xiaoyu Jiang, Wei Wu, Yirong Mo
Induction, Resonance, and Secondary Electrostatic Interaction on Hydrogen Bonding in the Association of Amides and Imides. The Journal of organic chemistry 83 (21) (2018)
Xuhui Lin, Wei Wu, Yirong Mo
A Direct Proof of the Resonance-Impaired Hydrogen Bond (RIHB) Concept. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (5) (2017)
Xuhui Lin, Huaiyu Zhang, Xiaoyu Jiang, Wei Wu, Yirong Mo
The Origin of the Non-Additivity in Resonance-Assisted Hydrogen Bond Systems. The journal of physical chemistry. A 121 (44) (2017)
Changwei Wang, David Danovich, Sason S Shaik, Yirong Mo
Halogen Bonds in Novel Polyhalogen Monoanions. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (36) (2017)
Xiaoyu Jiang, Huaiyu Zhang, Wei Wu, Yirong Mo
A Critical Check for the Role of Resonance in Intramolecular Hydrogen Bonding. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (66) (2017)
Changwei Wang, Yuzhuang Fu, Lina Zhang, David Danovich, Sason S Shaik, Yirong Mo
Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature? Journal of computational chemistry 39 (9) (2017)
Changwei Wang, David Danovich, Sason S Shaik, Yirong Mo
A Unified Theory for the Blue- and Red-Shifting Phenomena in Hydrogen and Halogen Bonds. Journal of chemical theory and computation 13 (4) (2017)
Huaiyu Zhang, Wei Wu, Basil M Ahmed, Gellert Mezei, Yirong Mo
Adjacent Lone Pair (ALP) Effect: A Computational Approach for Its Origin. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (22) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Yirong Mo