Atomic pseudopotentials for reproducing ?-orbital electron behavior in sp2 carbon atoms, International Journal of Quantum Chemistry, 2019. ,
URL : https://hal.archives-ouvertes.fr/hal-02048996
Pseudopotentials for main group elements (IIIa through VIIa), Mol. Phys, vol.65, pp.1321-1328, 1988. ,
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg, The Journal of chemical physics, vol.82, pp.270-283, 1985. ,
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals, The Journal of Chemical Physics, vol.82, pp.299-310, 1985. ,
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi, The Journal of Chemical Physics, vol.82, pp.284-298, 1985. ,
Norm-conserving pseudopotentials, Physical Review Letters, vol.43, p.1494, 1979. ,
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism, Physical review B, p.7892, 1990. ,
Atomic and molecular calculations with the model potential method. I, J. Chem. Phys, p.2132, 1987. ,
Effective core potentials, NIC Series, vol.1, pp.479-508, 2000. ,
, Pseudopotentials and Model Potentials. WIREs Comput Mol Sci, 2011.
, Computational Chemistry: Reviews of Current Trends, issue.2, pp.49-74, 1999.
, TURBOMOLE GmbH, since, 1989.
Calculation of integrals over ab initio pseudopotentials, Journal of Computational Physics, vol.44, pp.289-301, 1981. ,
, , 2019.
A Pentacene with a 144 ? Twist, Journal of the American Chemical Society, vol.126, pp.11168-11169, 2004. ,
Twisted Acenes, Chemical Reviews, vol.106, pp.4809-4819, 2006. ,
Synthesis and structure characterization of a stable nonatwistacene, Angewandte Chemie, vol.51, pp.6094-6098, 2012. ,
Helically Locked Tethered Twistacenes, Journal of the American Chemical Society, vol.140, pp.8086-8090, 2018. ,
, Angewandte Chemie, vol.58, pp.2831-2833, 2019.
Ground Control Monitoring for the Organics Experiment on the EXPOSE-R Facility on the International Space Station, NASA Laboratory Astrophysics Workshop, p.39, 2010. ,
Bioinspired Oxidation of Methane in the Confined Spaces of Molecular Cages, Inorganic Chemistry, vol.58, pp.7220-7228, 2019. ,
URL : https://hal.archives-ouvertes.fr/hal-02129474
Hemicryptophane-assisted electron transfer: a structural and electronic study, Dalton Trans, vol.42, pp.1530-1535, 2013. ,
URL : https://hal.archives-ouvertes.fr/hal-01117205
Synthesis and Structural Studies of Gallium(III) and Iron(III) Hemicryptophane Complexes, Inorganic Chemistry, vol.55, pp.1011-1013, 2016. ,
URL : https://hal.archives-ouvertes.fr/hal-01278205