@article{cuny:hal-00813890,
TITLE = {95Mo nuclear magnetic resonance parameters of molybdenum hexacarbonyl from density functional theory: appraisal of computational and geometrical parameters.},
AUTHOR = {Cuny, J{\'e}r{\^o}me and Sykina, Kateryna and Fontaine, Bruno and Le Poll{\`e}s, Laurent and Pickard, Chris J. and Gautier, R{\'e}gis},
URL = {https://hal.science/hal-00813890},
JOURNAL = {Physical Chemistry Chemical Physics},
PUBLISHER = {Royal Society of Chemistry},
VOLUME = {13},
NUMBER = {43},
PAGES = {19471-9},
YEAR = {2011},
MONTH = Nov, DOI = {10.1039/c1cp22289a},
PDF = {https://hal.science/hal-00813890/file/c1cp22289a.pdf},
HAL_ID = {hal-00813890},
HAL_VERSION = {v1},
}