@article{shukla:hal-03103464,
TITLE = {Understanding Reactivity and Assembly of Dichalcogenides: Structural, Electrostatic Potential, and Topological Analyses of 3 H-1,2-Benzodithiol-3-one and Selenium Analogs},
AUTHOR = {Shukla, R. and Dhaka, A. and Aubert, Emmanuel and Vijayakumar-Syamala, V. and Jeannin, O. and Fourmigu{\'e},
M. and Espinosa, Enrique},
URL = {https://hal.science/hal-03103464},
JOURNAL = {Crystal Growth \& Design},
PUBLISHER = {American Chemical Society},
VOLUME = {20},
NUMBER = {12},
PAGES = {7704-7725},
YEAR = {2020},
MONTH = Dec, DOI = {10.1021/acs.cgd.0c00961},
KEYWORDS = {Conformations ; Crystal orientation ; Electric charge ; Electrostatics ; Fluorine compounds ; Molecular orientation ; Selenium ; Topology ; Charge concentration ; Charge redistribution ; Electrostatic potential calculation ; Electrostatic potentials ; Nucleophilic attack ; Optimized geometries ; Topological analysis ; Topological properties ; Crystal atomic structure},
PDF = {https://hal.science/hal-03103464/file/Understanding%20Reactivity%20and%20Assembly%20of%20Dichalcogenides.pdf},
HAL_ID = {hal-03103464},
HAL_VERSION = {v1},
}