Liste des publications :
1. B. Nicolaï, R.Badour-Hadjean, F. Fillaux, M.H. Baron, J. Tomkinson, G.J. Kearley
Spectroscopy of biological molecules,J.C. Merlin and al (eds), 39 (1995) 184
Inelastic neutron scattering study of proton dynamics in polyglycine II at 20K.
2. G.J Kearley, B. Nicolaï,P. Radaelli, F. Fillaux
J. Solid State Chem.,126 (1996)
The crystal structure and methylgroup dynamics in the room-temperature and low-temperature phase of lithium acetate dihydrate.
3. F. Fillaux, M.H. Baron, B.Nicolaï, J. Tomkinson, G.J. Kearley
Biological Macromolecular dynamics(1997), 69
A new view of proton dynamics in amides and peptides: vibrational spectroscopy with neutrons.
4. B. Nicolaï, G.J.Kearley, O. Randl, F. Fillaux, PH Trommsdroff
Physica B 234-236 (1997), 76
Intramolecular rotational coupling of inequivalent methyl groups.
5. M.R. Jonhson, M. Neumann, B. Nicolaï, P. Smith, G.J. Kearley
Chem. Phys. 215 (1997)343
The origin and temperature dependence of the single-particle, methyl-group rotational potentialin acetic acid.
6 . B. Nicolaï, E. Kaiser, F. Fillaux, G.J. Kearley, A. Cousson, W. Paulus
Chemical Physics 226 (1998) 1
Inelastic neutron scattering study of methyl tunnelling in an oriented single-crystal of 2,6dimethylpyrazine at low temperature and rotational-potential calculations.<
7. B. Nicolaï, G.J.Kearley, M.R. Johnson, F. Fillaux, E. Suard
J. Chem. Phys, 109, n° 20, 9062 (1998).
The crystal structure and low-temperature methyl-group dynamics of cobalt and nickel acetates.
8. F. Fillaux, B. Nicolaï, M.H. Baron, A. Lautié, J. Tomkinson, G.J. Kearley
Ber. Bunsenges. phys. chem. 102, n° 3 (1998) 384
A new view of the quantum dynamics for proton transfer along hydrogen bonds: vibrational spectroscopy with neutrons.
9. B. Nicolaï, G.J. Kearley
AIP Conference Proceedings, vol. 479, (1999), 206
Density functional theory for the calculations of the rotational potentials of methyl groups.
10. G. J. Kearley, B. Nicolaï
J. Phys. IV France, 10 (2000), 237
Méthodes numériques et simulations.
11. B. Nicolaï, G.J. Kearley, A. Cousson, F Fillaux, W Paulus, F. Gentner, L. Schröder, D. Watkin
Acta Cryst B 57 (2001)36
The crystal structure and low temperature methyl group dynamics of manganese acetate.
12. J.A. Stride, U.A. Jayasooriya, N. Mbogo, R.P. White, B. Nicolaï, G.J. Kearley
New J. Chem.25 (2001) 1069
Hydrogen-bonding in the self-organizing system 3,5 dimethylpyrazole.
13. E. Kaiser-Morris, B. Nicolaï, A. Cousson, W. Paulus, F. Fillaux
Acta Cryst. E 57 (2001) 1
2,6 dimethylprazine at 5K : a neutron diffraction study.
14. B. Nicolaï, A. Cousson, F. Fillaux
Chemical physics 290 (2003), 101-120
Interplay of quantum methyl
rotation and crystal structure in the lithium acetate dihydrate:
neutron diffraction, inelastic neutron scattering and theory.
15. F. Fillaux, B. Nicolaï, W. Paulus, E. Kaiser-Morris, A. Cousson
Physical Review B: Condensed Matter and Materials Physics (2003), 68(22)
Collective rotational tunnelling of
methyl groups and quantum solitons in 4-methylpyridine: neutron
scattering studies of single crystal.
16. F. Fillaux; B. Nicolai; A. Cousson
Localization & Energy Transfer in Nonlinear Systems, 3rd, San Lorenzo de El Escorial, Spain, June 17-21, 2002 (2003)
Experimental studies and theory of
nonlinear rotational dynamics in the quantum regime: the interplay of
structure, dynamics and localization in crystals.
17. R. Céolin, D.O. Lopez, M.Barrio, J.Ll. Tamarit, P. Espeau, B. Nicolaï, H. Allouchi, R. J. Papoular
Chem. Phys. Letters. 399 401-405 (2004)
Solid state studies on C60 solvates
formed with n-alcanes : orthorhombic C60 . 2/3 n-nonane.
18. A.Cousson, B. Nicolaï, F. Fillaux
Acta cryst E, Volume 61, Part 02, pages o222---o224.(2005)
Melamine (1,3,5-triazine-2,4,6-triamine) : a neutron diffraction study at 14K.
19. F. Fillaux, B. Nicolaï
Chemical Physics Letters (2005), 415(4-6), 357-361
Proton transfert in malonaldehyde. From reaction path to Schroedinger cat.
20. R. Céolin, D.O. Lopez, B. Nicolaï, P. Espeau, M. Barrio, H. Allouchi,J-L. Tamarit,
Chemical Physics (2007), 342(1-3), 78-84.
Solid-state studies of C60 solvates formed with chlorodibromomethane.
21. B. Nicolaï, P.
Espeau, R.Ceolin, M-A. Perrin, L. Zaske, J.Giovannini, F. Leveiller,
Journal of Thermal Analysis and Calorimetry (2007), 90(2), 337-339
Polymorph formation from solvate
desolvation. Spironolactone forms I and II from the
spironolactone-ethanol solvate.
22. Espeau, P.; Nicolai, B; Ceolin, R.; Perrin, M.-A.; Zaske, L.; Giovannini, J.; Leveiller, F.
Journal of Thermal Analysis and Calorimetry (2007) 90(2), 341-342.
Thermal behavior of orthorhombic
polymorphs I and II of spironolactone.
23. R. Céolin, J. L. Tamarit, M. Barrio, D. Ó. López, B. Nicolaï, N. Veglio,
M-A. Perrin and P. Espeau
J. Pharm. Sci.,(2008), 97, 9, 3927
Overall Monotropic Behavior of a Metastable Phase of Biclotymol,
2,2’-Methylenebis(4-Chloro-3-Methyl-Isopropylphenol), Inferred
from Experimental and Topological Construction of the Related P-T
State Diagram.
24. N Mahé , B. Nicolaï R. Céolin
X-ray structure analysis on line, vol.24, x143-x144 (2008)
Crystal structure of biclotymol-DMF 1:1 solvate : 2,2' methylenebis
(4-chloro-3-methyl-6-isopropylphenol)-N,N' dimethylformamide.
25. N Mahé , B. Nicolaï, R. Céolin
X-ray structure analysis on line,
vol.24, x193-x194(2008)
Crystal structure of biclotymol-DMSO 1:1 solvate : 2,2' methylenebis
(4-chloro-3-methyl-6-isopropylphenol)-N,N' dimethylsulfoxide.
26. B. Nicolaï, R. Céolin, I. Rietveld
Journal of Thermal analysis and Calorimetry, 102, 211-216(2010)
Polymorphism and solvation of indomethacin : characterization of an indomethacin-tetrahydrofuran
solvate leading to phase I.
27. B. Nicolaï, N. Mahé
Structural Chemistry, 21, 503-510
(2010)
Crystal structure of the biclotymol
N,N-dimethylacetamide solvate 1:1 : experimental and theoretical
conformational analysis of biclotymol molecule.
28. N. Mahé, M-A. Perrin, M.Barrio, B.Nicolaï, I. B. Rietveld, J-L. Tamarit, R. Céolin
J.Pharm. Sciences 2010
Solid-State Studies of the Triclinic (Z’ = 2) Antiprotozoal Drug Ternidazole
29.B. Nicolaiï,, N. Mahé, R. Céolin, I. B. Rietveld, M. Barrio, and J-L. Tamarit
Structural Chemistry, 22 ( 2011) 649-659
Tyrosine
Alkyl Esters as Prodrug: The Structure and Intermolecular
Interactions of L-Tyrosine Methyl Ester Compared to L-Tyrosine and
its Ethyl and n-Butyl Esters
30. A. Waldschmidt, I.B. Rietveld, N. Couvrat, V. Dupray, M. Anselme, B. Berton, B. Nicolai, N. Mahé, S. Petit, R. Céolin, G. Coquerel
Crystal Growth & design, vol 11, ( 2011) 6, 2580- 2587
About aged heterogeneous liquid
inclusions inside organic crystals in relation to crystal formation,
structure, and morphology
31. I.B. Rietveld, M. Barrio, J-L Tamarit, B. Nicolaï , J. van de Streek, N. Mahé, R. Céolin, B. Do.
J. Pharm. Sci. vol 100 ( 2011) 11 : 4774-4782
Dimorphism
of the Prodrug L-Tyrosine Ethyl Ester: The Pressure-Temperature State
Diagram and the Crystal Structure of Phase II
32. N. Mahé, B. Do, B. Nicolaï, I.B.Rietveld, M. Barrio,J-L.Tamarit, R. Céolin, C. Guéchot, J-M. Teulon
International Journal of Pharmaceutics 422 : 47-51 (2012)
Crystal
Structure and Solid-State Studies of Aged Samples of Tienoxolol, an
API Designed against Hypertension
33. B.Nicolaï, I.B Rietveld, .M. Barrio, N. Mahé, J-L.Tamarit, R. Céolin C. Guéchot, J-M. Teulon
Structural Chemistry : 279-283 (2013)
Uniaxial
Negative thermal expansion in crystals of tienoxolol
34. N. Mahé, B. Nicolaï, H. Allouchi, M. Barrio, B. Do, R. Céolin, J-Ll. Tamarit, I.B.
Rietveld.
Crystal growth & design 13(2) 708-715 (2013)
Crystal
structure and solid state properties of 3,4-diaminopyridine
dihyrogenphosphate and their comparison with other pyridine salts
35. I.B. Rietveld, M-A. Perrin, S. Toscani, M. Barrio, B. Nicolaï, J-Ll. Tamarit, R. Céolin
Molecular pharmaceutics serif" 10(4) 1332-1339 (2013)
Liquid-Liquid
Miscibility Gaps in Drug-Water Binary Systems: Crystal Structure and
Thermodynamic Properties of Prilocaine and the
Temperature-Composition Phase Diagram of the Prilocaine-Water System
36. N. Mahé, B. Nicolaï, M. Barrio, M-A. Perrin, B. Do, J-Ll. Tamarit, R. Céolin, I.B. Rietveld
Crystal Growth & design, 13(7) 3028 (2013)
Solid-state
properties and dehydration behavior of the active pharmaceutical
ingredient potassium guaiacol-4-sulfonate
37. B. Nicolaï, M.-A. Perrin, R. Céolin, I. B. Rietveld
Annales Pharmaceutiques Françaises (en ligne depuis le 18/12/2013)
Differentiating
amorphous mixtures of cefuroxime axetil and copovidone by X-ray
diffraction and differential scanning calorimetry
38. H. Allouchi, B.Nicolaï , M. Barrio, R. Céolin, N. Mahé, J.-Ll. Tamarit, B. Do, I. B Rietveld
Crystal growth & design (2014) 14 (3) : 1279-1283
On the polymorphism of L-citrulline: crystal structure and characterization of the orthorhombic delta form
39. T. Henriet, B. Nicolai , C. Gaddhar, M. Barrio, B. Do, N. Yagoubi, J-Ll. Tamarit, I. B. Rietveld
Crystal growth & design (2015) 15 (1) 348-357
Triethylenetetramine Dihydrochloride : interactions and conformations in two anhydrous structures and a hydrate
40. I. Gana, M. Barrio, C. Gaddhar, B. Nicolai, B. Do, J-Ll. Tamarit, F. Safta, I. B. Rietveld,
Molecular Pharmaceutics ( 2015) 12(7) : 2276-2288
An integrated view of the influence of temperature, pressure, and humidity on the stability of trimorphic cysteamine hydrochloride
41. B. Nicolai , J-P. Itie, M. Barrio, J-Ll. Tamarit, I.B. Rietveld
Cryst. Eng. Comm ( 2015) 17(21) : 3974- 3984
Thermodynamics by synchrotron X-ray diffraction : phase relationships and crystal structure of L-tyrosine ethyl ester form III
IF=3.849
42. R. Mani, I.B. Rietveld, B. Nicolai, K. Varadharajan, M. Louhi-Kultanen, S. Narasimhan
Chemical physics ( 2015) 458 : 52-61
Flurorescence and physical properties of the organic salt 2-chloro-4nitrobenzoate-3-ammonium-phenol
43. A. Zerrouki, H. Allouchi, B. Nicolai, S. El Kadiri, R. Ceolin, I.B. Rietveld
Structural chemistry (2016) 27 (2) : 697-704
Crystal structure and thermal expansion of N,N,N',N4-tetrakis-(1,2,4) triazol-1 yl methyl-ethane-1,2 diamine
44. B. Nicolai , M. Barrio, J-Ll. Tamarit, R. Ceolin, I. B. Rietveld
Eur. Phys. J. Special Topics (2017) 226, 905-912
Thermal expansion of L-ascorbic acid
45. B. Nicolai , M. Barrio, P. Lloveras, A. Polian, J-P. Itié, J-Ll. Tamarit, I.B. Rietveld
Physical chemistry chemical physics (accepted, 2018)
A thermodynamically consistent phase diagram of a trimorphic pharmaceutical, l-tyrosine ethyl ester, based on limited experimental data
46. B. Nicolai , B. Fournier, S. Dahaoui, J-M. Gillet, N.Ghermani
Crystal Growth and Design (accepted, 2018)
Crystal and Electron Properties of Carbamazepine-Aspirin Co-crystal