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HALathon 2021 UPPA

Les articles que vous pouvez déposer

# Année Titre Revue Lien éditeur / doi Notice HAL
1 2021 A BN‐Doped Cycloparaphenylene Debuts Angewandte Chemie International Edition 10.1002/anie.202010556 hal-03043314
2 2020 Cation–π binding ability of BN indole Chemical Communications 10.1039/D0CC00869A hal-02499864
3 2020 UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics Physical Chemistry Chemical Physics 10.1039/d0cp03896b hal-02995194
4 2019 A BN anthracene mimics the electronic structure of more highly conjugated systems Dalton Transactions 10.1039/c9dt00481e hal-02125180
5 2019 Syntheses and structures of benzo-bis(1,3,2-diazaboroles) and acenaphtho-1,3,2-diazaboroles Dalton Transactions 10.1039/C9DT03818C hal-02348702
6 2019 Spectroscopic Studies on Hydrazine-Boranes, Key Compounds for Chemical Hydrogen Storage Journal of Physical Chemistry A 10.1021/acs.jpca.9b04266 hal-02278425
7 2017 Synthesis, structure, and properties of luminescent diazaborole and indole systems Journal of Heterocyclic Chemistry 10.1007/s10593-017-2021-0 hal-01484868
8 2017 Electronic structure of BN-aromatics: Choice of reliable computational tools Journal of Chemical Physics 10.1063/1.4993297 hal-01646162
9 2017 New, simple and efficient method for the synthesis of imidazo-azines by flash vacuum thermolysis of tert-butylimines of pyrimidine-2-, pyrazine-2-, quinoline-2-, quinoxaline-2- and isoquinoline-1-carbaldehydes Journal of Analytical and Applied Pyrolysis 10.1016/j.jaap.2017.02.028 hal-01549703
10 2015 Diastereoselective synthesis of tetraalkyl (R,R)-1,2-cyclohexylene-diamino-di-phosphonates bearing thiophene, furan and pyrrole moieties. Computational and experimental study on their formation Tetrahedron 10.1016/j.tet.2015.03.010 hal-01549704
11 2015 The Electronic Structure of Some Cyanohydrins-A Spectroscopically Under-Investigated Family of Compounds ChemPhysChem 10.1002/cphc.201500516 hal-01236441
12 2013 Electronic Structure of 1,2-Dihydro[1,3,2]diazaborolo- [1,5-a]pyridine in Comparison with the Parent Isoindole European Journal of Inorganic Chemistry 10.1002/ejic.201301205 hal-00903822
13 2013 1,3,2-benzodiazaboroles with 1,3-pentafluorophenyl and tetrafluoropyridyl substituents as building blocks in luminescent compounds European Journal of Inorganic Chemistry 10.1002/ejic.201300319 hal-01549705
14 2010 Brillouin spectroscopy, calculated elastic and bond properties of GaAsO4. Inorganic Chemistry 10.1021/ic1011499 hal-00634490
15 2010 Recreating life? The osmosis effects [Recréer la vie?: Effets d'osmose] L'Actualité Chimique hal-01549706
16 2005 Software news and updates new parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2 Journal of Computational Chemistry 10.1002/jcc.20204 hal-01549707
17 2004 Ab initio calculation of the nonlinear susceptibility χ(2) of a crystal surface. Journal of Computational Methods in Sciences and Engineering hal-01536027
18 2003 Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems Journal of Computational Chemistry 10.1002/jcc.10274 hal-01549708
19 2003 First-principles study of structural, electronic and optical properties of BaF2 in its cubic, orthorhombic and hexagonal phases Journal of Physics: Condensed Matter 10.1088/0953-8984/15/4/310 hal-01549709
20 2000 A theoretical study of stability, electronic, and optical properties of GeC and SnC Journal of Applied Physics hal-01549710

Références complètes

  1. Min Chen, Kiran Unikela, Rongala Ramalakshmi, Bo Li, Clovis Darrigan, et al.. A BN‐Doped Cycloparaphenylene Debuts. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2021, 60 (3), pp.1556-1560. ⟨10.1002/anie.202010556⟩. ⟨hal-03043314⟩
  2. Katherine Boknevitz, Clovis Darrigan, Anna Chrostowska, Shih-Yuan Liu. Cation–π binding ability of BN indole. Chemical Communications, Royal Society of Chemistry, 2020, 56 (26), pp.3749-3752. ⟨10.1039/D0CC00869A⟩. ⟨hal-02499864⟩
  3. Aniket Hande, Clovis Darrigan, Paulina Bartos, Patrick Baylère, Anna Pietrzak, et al.. UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (41), pp.23637-23644. ⟨10.1039/d0cp03896b⟩. ⟨hal-02995194⟩
  4. Jacob Ishibashi, Clovis Darrigan, Anna Chrostowska, Bo Li, Shih-Yuan Liu. A BN anthracene mimics the electronic structure of more highly conjugated systems. Dalton Transactions, Royal Society of Chemistry, 2019, 48 (8), pp.2807-2812. ⟨10.1039/c9dt00481e⟩. ⟨hal-02125180⟩
  5. Lothar Weber, Daniel Eickhoff, Anna Chrostowska, Alain Dargelos, Clovis Darrigan, et al.. Syntheses and structures of benzo-bis(1,3,2-diazaboroles) and acenaphtho-1,3,2-diazaboroles. Dalton Transactions, Royal Society of Chemistry, 2019, 48, pp.16911-16921. ⟨10.1039/C9DT03818C⟩. ⟨hal-02348702⟩
  6. Javier Torres Escalona, Jean-Claude Guillemin, Clovis Darrigan, Anna Chrostowska. Spectroscopic Studies on Hydrazine-Boranes, Key Compounds for Chemical Hydrogen Storage. Journal of Physical Chemistry A, American Chemical Society, 2019, 123 (28), pp.6003-6015. ⟨10.1021/acs.jpca.9b04266⟩. ⟨hal-02278425⟩
  7. Lothar Weber, Daniel Eickhoff,, Anna Chrostowska, Clovis Darrigan, Hans Georg Stammler,, et al.. Synthesis, structure, and properties of luminescent diazaborole and indole systems. Journal of Heterocyclic Chemistry, Wiley, 2017, pp.1-12. ⟨10.1007/s10593-017-2021-0⟩. ⟨hal-01484868⟩
  8. Audrey Mazière, Anna Chrostowska, Clovis Darrigan, Alain Dargelos, Alain Graciaa, et al.. Electronic structure of BN-aromatics: Choice of reliable computational tools. Journal of Chemical Physics, American Institute of Physics, 2017, 147 (16), pp.Article Number: 164306. ⟨10.1063/1.4993297⟩. ⟨hal-01646162⟩
  9. K. Justyna, Anna Chrostowska, S. Leśniak, Clovis Darrigan, Patrick Baylère, et al.. New, simple and efficient method for the synthesis of imidazo-azines by flash vacuum thermolysis of tert-butylimines of pyrimidine-2-, pyrazine-2-, quinoline-2-, quinoxaline-2- and isoquinoline-1-carbaldehydes. Journal of Analytical and Applied Pyrolysis, Elsevier, 2017, 125, pp.335-346. ⟨10.1016/j.jaap.2017.02.028⟩. ⟨hal-01549703⟩
  10. Anna Chrostowska, Clovis Darrigan, S. Khayar, Patrick Baylère, J. Lewkowski, et al.. Diastereoselective synthesis of tetraalkyl (R,R)-1,2-cyclohexylene-diamino-di-phosphonates bearing thiophene, furan and pyrrole moieties. Computational and experimental study on their formation. Tetrahedron, Elsevier, 2015, 71 (17), pp.2561-2571. ⟨10.1016/j.tet.2015.03.010⟩. ⟨hal-01549704⟩
  11. Anna Chrostowska, Clovis Darrigan, Alain Dargelos, Abdessamad Benidar, Jean-Claude Guillemin. The Electronic Structure of Some Cyanohydrins-A Spectroscopically Under-Investigated Family of Compounds. ChemPhysChem, Wiley-VCH Verlag, 2015, 16 (17), pp.3660-3671. ⟨10.1002/cphc.201500516⟩. ⟨hal-01236441⟩
  12. Anna Chrostowska, Audrey Mazière, Alain Dargelos, Alain Graciaa, Clovis Darrigan, et al.. Electronic Structure of 1,2-Dihydro[1,3,2]diazaborolo- [1,5-a]pyridine in Comparison with the Parent Isoindole. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2013, pp.5672-5678. ⟨10.1002/ejic.201301205⟩. ⟨hal-00903822⟩
  13. L. Weber, J. Halama, L. Böhling, A. Brockhinke, Anna Chrostowska, et al.. 1,3,2-benzodiazaboroles with 1,3-pentafluorophenyl and tetrafluoropyridyl substituents as building blocks in luminescent compounds. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2013, pp.4268-4279. ⟨10.1002/ejic.201300319⟩. ⟨hal-01549705⟩
  14. Gopalkrishna Bhalerao, Olivier Cambon, Julien Haines, Claire Levelut, Alain Mermet, et al.. Brillouin spectroscopy, calculated elastic and bond properties of GaAsO4.. Inorganic Chemistry, American Chemical Society, 2010, 49 (20), pp.9470-9478. ⟨10.1021/ic1011499⟩. ⟨hal-00634490⟩
  15. R.-E. Eastes, Clovis Darrigan, X. Bataille. Recreating life? The osmosis effects [Recréer la vie?: Effets d'osmose]. L'Actualité Chimique, Société chimique de France, 2010, pp.28-35. ⟨hal-01549706⟩
  16. N. Gohaud, Didier Bégué, Clovis Darrigan, Claude Pouchan. Software news and updates new parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2. Journal of Computational Chemistry, Wiley, 2005, 26 (7), pp.743-754. ⟨10.1002/jcc.20204⟩. ⟨hal-01549707⟩
  17. Isabelle Baraille, Clovis Darrigan, Michel Rérat. Ab initio calculation of the nonlinear susceptibility χ(2) of a crystal surface.. Journal of Computational Methods in Sciences and Engineering, IOS Press, 2004, 4 (3), pp.357-364. ⟨hal-01536027⟩
  18. Clovis Darrigan, Michel Rérat, G. Mallia, R. Dovesi. Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems. Journal of Computational Chemistry, Wiley, 2003, 24 (11), pp.1305-1312. ⟨10.1002/jcc.10274⟩. ⟨hal-01549708⟩
  19. H. Jiang, R. Pandey, Clovis Darrigan, Michel Rérat. First-principles study of structural, electronic and optical properties of BaF2 in its cubic, orthorhombic and hexagonal phases. Journal of Physics: Condensed Matter, IOP Publishing, 2003, 15 (4), pp.709-718. ⟨10.1088/0953-8984/15/4/310⟩. ⟨hal-01549709⟩
  20. R. Pandey, Michel Rérat, Clovis Darrigan, M. Causà. A theoretical study of stability, electronic, and optical properties of GeC and SnC. Journal of Applied Physics, American Institute of Physics, 2000, 88 (11), pp.6462-6466. ⟨hal-01549710⟩