Application of LModeA-nano

N-N bonding in N₆

W. Qian, A. Mardyukov, P. R. Schreiner, Preparation of A Neutral Nitrogen Allotrope Hexanitrogen C2h-N6, Nature 642, 356–360 (2025).

Tetrel Bonding and C-H Stretching

N. Lu, G. Gurumallappa, P. Liu, K. Chan, Y. Huang, Y. Lin, Y. Hsieh, P. Zeng, Y. Gowda, M. Tsai, E. Tessema, H. Chang, J. S. Francisco, Neutron Diffraction and Spectroscopic Studies of Intramolecular Tetrel Bonds in Three Fluorinated Zinc Complexes: Significant Redshift in the sp3 C−H Stretch Confirmed by Experiments and Theory, J. Am. Chem. Soc. 147, 45270 (2025)

Defect Formation Energy Explained by Chemical Bond Strength

Q. Chen, L. Ma, J. Yang, L. Xi, The A-Ni Chemical Bond in AᴵᴵᴵNiSb (Aᴵᴵᴵ=Sc, Y, Er) half-Heusler Materials Triggers the Formation of Anomalous Vacancy Defects, Mater. Today Phys. 46, 101531 (2024)

Interpreting Vibrational Spectra of Solids

A. A. Mikhailov, A. Gansmüller, K. A. Konieczny, S. Pillet, G. Kostin, P. Klüfers, T. Woike, D. Schaniel, Local Force Constants and Charges of the Nitrosyl Ligand in Photoinduced NO Linkage Isomers in A Prototypical Ruthenium Nitrosyl Complex, Phys. Chem. Chem. Phys. 26, 15255 (2024)

Thermal Decomposition Mechanism and Bond Strength

J. Zhang, L. Chen, P. Han, C. Li, Y. Yuan, B. Wu, F. Chen, W. He, Insights Into the 5,5’-bis(1H-tetrazolyl)amine Monohydrate (BTA∙H₂O) Pyrolysis Mechanism: Integrated Experimental and Kinetic Model Analysis, New J. Chem. 48, 5840 (2024)

J. Zhang, L. Chen, J. Yang, C. Bian, W. He, Thermal Behaviors, Thermal Decomposition Mechanism, Kinetic Model Analysis and Thermal Hazard Prediction of 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole (TATOT), Thermochim. Acta. 724, 179515 (2023)

Mechanical Brittleness Explained by Chemical Bond Strength

I. V. Chepkasov, A. G. Kvashnin, A. D. Radina, N. A. Matsokin, F. N. Jalolov, D. G. Kvashnin, A. R. Oganov, Z. Dashevsky, Origin of Brittle Behavior of Doped PbTe-based Thermoelectric Materials, Appl. Phys. Lett. 124, 022104 (2024)

Bond Strength in Inner Coordination Sphere

A. I. Carrick, J. Patrick, E. R. Schofield, P. O’Shaughnessy, B. Breeze, J. B. Love, C. A. Morrison, Separation of Rhodium from Iridium Through Synergistic Solvent Extraction, Sep. Purif. Technol. 333, 125893 (2024)

Non-covalent Bonding

C.-T. Phan Dang, N. M. Tam, T.-N. Huynh, N. T. Trung, Revisiting Conventional Noncovalent Interactions towards A Complete Understanding: From Tetrel to Pnicogen, Chalcogen, and Halogen Bond, RSC Adv. 13, 31507 (2023)

Mechanical Stiffness Explained via Chemical Bond Strength

X. Jiang, T. Zhao, D. Wang, Anisotropic Ductility and Thermoelectricity of van der Waals GeAs, Phys. Chem. Chem. Phys. 25, 27542 (2023)

Novel Pd Compound Characterization

J. Evers, W. Beck, G. Oehlinger, P. Mayer, M. B. R. Völkl, T. M. Klapötke, A. Zimina, S. Wolf, R. Köppe, PdCl(NO) – An Iconic Compound with Corrugated Pd₄Cl₄ Octagons Built Up by Pd₂Cl₂(NO)₂ Moieties, Z. Anorg. Allg. Chem. 649, e202200337 (2023)

Bonding in Silylene

R. Yadav, X. Sun, R. Köppe, M. T. Gamer, F. Weigend, P. W. Roesky, Stimuli Responsive Silylene: Electromerism Induced Reversible Switching Between Mono- and Bis-Silylene, Angew. Chem. Int. Ed. 61, e202211115 (2022)

Hydrogen Bonding in Ice Polymorphs

S. Nanayakkara, Y. Tao, E. Kraka, Capturing Individual Hydrogen Bond Strengths in Ices via Periodic Local Vibrational Mode Theory: Beyond the Lattice Energy Picture, J. Chem. Theory. Comput. 18, 562 (2022)