101.
Xuhui Lin; Xiao-Li Lu; Shenghui Tang; Wei Wu; Yirong Mo, Multiconfigurational actinide nitrides assisted by double Möbius aromaticity.
Chemical Science 2024,
15(21),
8216-8226.
102.
Dong‐Ping Chen*; Wen Ma; Chunhong Yang; Ming Li; Zhao‐Zhen Zhou; Yang Zhang; Zheng‐Jun Quan*, Interaction between hydroxymethanesulfonic acid and several organic compounds and its atmospheric significance.
Journal of Molecular Graphics and Modelling 2024.
108782-108782.
103.
Xuewei Xiong; Ran Friedman*; Wei Wu; Peifeng Su*, QM/MM-Based Energy Decomposition Analysis Method for Large Systems.
The Journal of Physical Chemistry A 2024,
128(18),
3529-3538.
104.
Kirandeep Kirandeep; Kushal Arya; Richa Richa; Vinod Kumar; Ramesh Kataria, Organometallic compounds: bonding and spectral characteristics.
Elsevier eBooks 2024.
31-60.
105.
Denisse Rivas-Navia; Jean‐Pierre Mbakidi; Esther Torrens; Sandrine Bouquillon; Christophe Bengoa, Buffalo Powder Protein Precipitation Using Tailored Bio-Based Ionic Liquids.
2024.
106.
Yueyang Zhang; L. Yan; Wei Wu; Peifeng Su, Energy decomposition analysis method using density matrix formulation.
The Journal of Chemical Physics 2024,
160(17).
107.
Chenyang Wang; Lin Zheng*; Chibuike C. Udenigwe; Lianzhu Lin; Mouming Zhao*, Molecular Mechanistic Insights into Dipeptidyl Peptidase-IV Inhibitory Peptides to Decipher the Structural Basis of Activity.
Journal of Agricultural and Food Chemistry 2024,
72(19),
11230-11240.
108.
Maxime Ferrer; Ibón Alkorta; José Elguero; Julio R. Barrios‐Llacuachaqui; William Tiznado; Josep M. Oliva*, Striking Borane Planarization in the Thermal Rearrangement (η5‐C5H5)Fe(η3‐B5H10)→(η5‐C5H5)Fe(η5‐B5H10).
Chemistry - A European Journal 2024,
30(40).
109.
Michel V. Heinz; Leonard Reuter; Arne Lüchow*, Identifying a real space measure of charge-shift bonding with probability density analysis.
Chemical Science 2024,
15(23),
8820-8827.
110.
Dmitri G. Fedorov*, The Peptide Bond: Resonance Increases Bond Order and Complicates Fragmentation.
ChemPhysChem 2024,
25(14).
111.
Yirong Mo*, Duality of Conjugated π Electrons.
2024.
407-432.
112.
Peifeng Su*, Energy Decomposition Analysis and Its Applications.
2024.
433-454.
113.
Sudip Pan; Gernot Frenking, Chemical Bonding.
2024.
101-160.
114.
Chen Zhou; Fuming Ying; Wei Wu, Chemical Concepts from Ab Initio Valence Bond Theory.
2024.
23-42.
115.
Lina Ould Mohamed; Soraya Abtouche; Zeyneb Ghoualem; Xavier Assfeld, Unraveling redox pathways of the disulfide bond in dimethyl disulfide: Ab initio modeling.
Journal of Molecular Modeling 2024,
30(6).
116.
Yue Yang; Jialing Yu; Xiankai Jiang; Keqiang Lai; Junjian Miao*, Insight into the interaction between amino acids and SO2: Detailed bonding modes.
Research Square (Research Square) 2024.
117.
Fang Liu; Haiyan Wang; Likai Du*, A data-driven exploration of the complexity of the phosphorus-centered pnictogen bonds.
Molecular Physics 2024.
118.
Jing Xu; Shu Zhang; Siheng Luo; Chen-ru Xiong; Minghuai Zhu; Jing Chang; Bo Zou; Bin Ren; Zhong‐Qun Tian; Guokun Liu*, Rapid Sample Pretreatment Facilitating SERS Detection of Trace Weak Organic Acids/Bases in Complex Matrices.
Analytical Chemistry 2024,
96(23),
9399-9407.
119.
Valeria Bedoya; Vladimir Rodríguez; Luís Rincón; Cesar H. Zambrano; Luis E. Seijas; F. Javier Torres*, KLD: A Program to Elucidate the Localization of the Fermi and Coulomb Holes in Molecular Systems.
Research Square (Research Square) 2024.
120.
Zhen Tang; Zhu Hong; Zhijun Pan; Jiali Gao; Jun Zhang, Many-Body Energy Decomposition Analysis (MB-EDA) Scheme based on Target State Optimization Self-Consistent Field (TSO-SCF) Method.
Physical Chemistry Chemical Physics 2024,
26(25),
17549-17560.