화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 The Effect of Urea on the Structure of Water: A Molecular Dynamics Simulation
Idrissi A, Gerard M, Damay P, Kiselev M, Puhovsky Y, Cinar E, Lagant P, Vergoten G
Journal of Physical Chemistry B, 114(13), 4731, 2010
2 Electron charge density distribution from X-ray diffraction study of the M-nitrophenol compound in the monoclinic form
Hamzaoui F, Drissi M, Chouaih A, Lagant P, Vergoten G
International Journal of Molecular Sciences, 8(2), 103, 2007
3 The SPASIBA force field for studying iron-tannins interactions: Application to Fe3+/Fe2+ catechol complexes
Yapo-Kicho D, Lagant P, Vergoten G
International Journal of Molecular Sciences, 8(3), 259, 2007
4 A comparative X-ray diffraction study and ab initio calculation on RU60358, a new pyrethroid
Hamzaoui F, Chouaih A, Lagant P, Belarbi O, Vergoten G
International Journal of Molecular Sciences, 7(8), 255, 2006
5 The SPASIBA force field for chondroitin sulfate: Vibrational analysis of D-glucuronic and N-acetyl-D-galactosamine 4-sulfate sodium salts
Meziane-Tani M, Lagant P, Semmoud A, Vergoten G
Journal of Physical Chemistry A, 110(39), 11359, 2006
6 Increasing normal modes analysis accuracy: The SPASIBA spectroscopic force field introduced into the CHARMM program
Lagant P, Nolde D, Stote R, Vergoten G, Karplus M
Journal of Physical Chemistry A, 108(18), 4019, 2004
7 Use of the resonance Raman intensities to check the density functional theory derived force field of the free base porphine
Tazi M, Lagant P, Vergoten G
Journal of Physical Chemistry A, 104(3), 618, 2000