World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
55
Citations
10316
World Ranking
12183
National Ranking
3256

Overview

Yirong Mo is affiliated with Western Michigan University in the United States and has contributed extensively to the field of chemistry, with a focus on organic, inorganic, and materials chemistry. Their research encompasses various subfields including organic chemistry, inorganic chemistry, materials chemistry, physical and theoretical chemistry, and atomic and molecular physics and optics.

The scientist's body of work spans numerous topics, reflecting a broad engagement with chemical sciences:

  • Crystallography and molecular interactions
  • Synthesis and characterization of novel inorganic/organometallic compounds
  • Organoboron and organosilicon chemistry
  • Carbon dioxide utilization in catalysis
  • Metal-Organic Frameworks: Synthesis and Applications
  • Synthesis and Properties of Aromatic Compounds
  • Organometallic Complex Synthesis and Catalysis

Yirong Mo's recent publications exemplify their research interests and include the following:

  • Role of Charge Transfer in Halogen Bonding, 2021, The Journal of Physical Chemistry A
  • A theoretical perspective of the agostic effect in early transition metal compounds, 2020, Coordination Chemistry Reviews
  • Rational Design of Main Group Metal-Embedded Nitrogen-Doped Carbon Materials as Frustrated Lewis Pair Catalysts for CO2 Hydrogenation to Formic Acid, 2021, ACS Applied Materials & Interfaces
  • Molecular magnetism in nanodomains of isoreticular MIL-88(Fe)-MOFs, 2021, Physical Chemistry Chemical Physics
  • On the Bonding Nature in the Crystalline Tri-Thorium Cluster: Core-Shell Syngenetic σ-Aromaticity, 2022, Angewandte Chemie International Edition

Collaboration has been a significant element in their work, with frequent co-authors including Changwei Wang, Xuhui Lin, Wei Wu, Shiwei Yin, and Xinru Peng.

Yirong Mo often publishes in several key chemistry journals, with multiple contributions to:

  • Chemistry - A European Journal
  • Physical Chemistry Chemical Physics
  • The Journal of Physical Chemistry A
  • Inorganic Chemistry
  • Journal of Computational Chemistry

The scientist's research focuses mainly on chemistry, with 79 publications categorically in this broad field. Their work contributes significantly to understanding chemical bonding, catalysis, and synthesis of organometallic and inorganic compounds, among other areas.

Best Publications

  • Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach

    Yirong Mo;Jiali Gao;Sigrid D. Peyerimhoff

  • Theoretical analysis of electronic delocalization

    Yirong Mo;Sigrid D. Peyerimhoff

  • Block-localized wavefunction (BLW) method at the density functional theory (DFT) level.

    Yirong Mo;Lingchun Song;Yuchun Lin

  • Electrostatic stress in catalysis: structure and mechanism of the enzyme orotidine monophosphate decarboxylase.

    Ning Wu;Yirong Mo;Jiali Gao;Emil F. Pai

  • On The Nature of the Halogen Bond

    Changwei Wang;David Danovich;Yirong Mo;Sason Shaik

  • Magnetic Evidence for the Aromaticity and Antiaromaticity of Charged Fluorenyl, Indenyl, and Cyclopentadienyl Systems

    Haijun Jiao;Paul von Ragué Schleyer;Yirong Mo;and Michael A. McAllister

  • Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory

    Yirong Mo;Peng Bao;Jiali Gao

  • XMVB: a program for ab initio nonorthogonal valence bond computations.

    Lingchun Song;Yirong Mo;Yirong Mo;Qianer Zhang;Wei Wu

  • Theoretical Analysis of the Rotational Barrier of Ethane

    Yirong Mo;Jiali Gao

  • Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect

    Yirong Mo

  • The concept of protobranching and its many paradigm shifting implications for energy evaluations.

    Matthew D. Wodrich;Chaitanya S. Wannere;Yirong Mo;Peter D. Jarowski

  • An Energetic Measure of Aromaticity and Antiaromaticity Based on the Pauling–Wheland Resonance Energies

    Yirong Mo;Paul von Ragué Schleyer

  • Ab initio QM/MM simulations with a molecular orbital‐valence bond (MOVB) method: application to an SN2 reaction in water

    Yirong Mo;Yirong Mo;Jiali Gao;Jiali Gao

  • The magnitude of hyperconjugation in ethane: a perspective from ab initio valence bond theory.

    Yirong Mo;Wei Wu;Lingchun Song;Menghai Lin

  • An ab initio molecular orbital-valence bond (MOVB) method for simulating chemical reactions in solution

    Yirong Mo;Jiali Gao

  • How do electron localization functions describe π-electron delocalization?

    Stephan N. Steinmann;Yirong Mo;Clemence Corminboeuf

  • Cation−π Interactions: An Energy Decomposition Analysis and Its Implication in δ-Opioid Receptor−Ligand Binding

    Yirong Mo;Govindan Subramanian;Jiali Gao;David M. Ferguson

  • A simple electrostatic model for trisilylamine: Theoretical examinations of the n ->sigma* negative hyperconjugation, p pi -> d pi bonding, and stereoelectronic interaction

    Yirong Mo;Yirong Mo;Yongqing Zhang;Jiali Gao

  • Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces.

    Alessandro Cembran;Lingchun Song;Yirong Mo;Jiali Gao

  • Nine questions on energy decomposition analysis.

    Juan Andrés;Paul W. Ayers;Roberto Álvarez Boto;Ramon Carbó-Dorca

Frequent Co-Authors

Wei Wu
Wei Wu Xiamen University
Jiali Gao
Jiali Gao University of Minnesota
Sason Shaik
Sason Shaik Hebrew University of Jerusalem
Clémence Corminboeuf
Clémence Corminboeuf École Polytechnique Fédérale de Lausanne
Sigrid D. Peyerimhoff
Sigrid D. Peyerimhoff University of Bonn
Yun-Bao Jiang
Yun-Bao Jiang Xiamen University
Philippe C. Hiberty
Philippe C. Hiberty University of Paris-Saclay
Emil F. Pai
Emil F. Pai University of Toronto
Krzysztof Szalewicz
Krzysztof Szalewicz University of Delaware
Gang Lu
Gang Lu California State University, Northridge

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