Manual of LModeA-nano

This manual focuses on the LModeA-nano as a PyMOL plugin designed to perform Local Vibrational Mode Analysis on both solids and molecules. This theoretical tool can quantify the intrinsic strength of chemical bonds in terms of local stretching force constant.

Recent news and publications

[2022-09-26] LModeA-nano was employed by Prof. Peter W. Roesky’s research group to investigate the existence of Si-Si bonding within silylene compounds in their work titled Stimuli Responsive Silylene: Electromerism Induced Reversible Switching Between Mono- and Bis-Silylene published on Angew. Chem. Int. Ed.

[2021-12-20] Our work titled Capturing Individual Hydrogen Bond Strengths in Ices via Periodic Local Vibrational Mode Theory: Beyond the Lattice Energy Picture was published on J. Chem. Theory Comput.

Acknowledgement & Funding

The LModeA-nano project is sponsored by National Science Fundation.