검색결과 : 16건
| No. | Article |
|---|---|
| 1 |
Evaluation of MP2, DFT, and DFT-D Methods for the Prediction of Infrared Spectra of Peptides Bouteiller Y, Poully JC, Desfrancois C, Gregoire G Journal of Physical Chemistry A, 113(22), 6301, 2009 |
| 2 |
Transferable Specific Scaling Factors for Interpretation of Infrared Spectra of Biomolecules from Density Functional Theory Bouteiller Y, Gillet JC, Gregoire G, Schermann JP Journal of Physical Chemistry A, 112(46), 11656, 2008 |
| 3 |
Methanol-acetonitrile complexes trapped in argon and nitrogen matrices: Infrared induced isomerization and theoretical calculations Coussan S, Bouteiller Y, Perchard JP, Brenner V, Millie P, Zheng WQ, Talbot F Journal of Chemical Physics, 110(20), 10046, 1999 |
| 4 |
Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes Silvi B, Wieczorek R, Latajka Z, Alikhani ME, Dkhissi A, Bouteiller Y Journal of Chemical Physics, 111(15), 6671, 1999 |
| 5 |
Calculation of electronic affinity and vertical detachment energy of the water dimer complex using the density functional theory Bouteiller Y, Desfrancois C, Scherman JP, Latajka Z, Silvi B Journal of Chemical Physics, 108(19), 7967, 1998 |
| 6 |
Valence and dipole binding of electrons to uracil Desfrancois C, Periquet V, Bouteiller Y, Schermann JP Journal of Physical Chemistry A, 102(8), 1274, 1998 |
| 7 |
Rotational isomerism of ethanol and matrix isolation infrared spectroscopy Coussan S, Bouteiller Y, Perchard JP, Zheng WQ Journal of Physical Chemistry A, 102(29), 5789, 1998 |
| 8 |
Free electron attachment and Rydberg electron transfer to NF3 molecules and clusters Ruckhaberle N, Lehmann L, Matejcik S, Illenberger E, Bouteiller Y, Periquet V, Museur L, Desfrancois C, Schermann JP Journal of Physical Chemistry A, 101(51), 9942, 1997 |
| 9 |
Structure and Intermolecular Motions of the Water Dimer Anion Bouteiller Y, Desfrancois C, Abdoulcarime H, Schermann JP Journal of Chemical Physics, 105(15), 6420, 1996 |
| 10 |
Bonding, Electronic, and Vibrational Analysis of the Al-C2H4 Complex Using Density-Functional Theory and Topological Method (ELF) Alikhani ME, Bouteiller Y, Silvi B Journal of Physical Chemistry, 100(40), 16092, 1996 |