1) M.F. Shibl,
M. Hamed, and
Barrier to Internal Rotation of Diclofenac Sodium.
In preparation (2009).
2) A.A. Ahmed, O. Kühn, R. Hilal, and M.F. Shibl
Geometric
H/D Isotope Effects and Cooperativity of Sodium Dihydrogen Triacetate and its Anion.
In preparation (2009).
3) A.A. Ahmed, O. Kühn, R. Hilal, and M.F. Shibl
Quantum
Mechanical Study of the Equilibrium Geometry of Sodium Dihydrogen
Triacetate and its Anion.
In preparation (2009).
4) J.M. Lopez del
Amo, U. Langer, V. Torres, M. Pietrzak,
G. Buntkowsky, H.M. Vieth,
M.F. Shibl, O. Kühn, M. Broering, and H.H. Limbach
Isotope
and Phase Effects on the Proton Tautomerism in
Polycrystalline Porphycene Revealed by NMR.
J. Phys. Chem. A 113(10), 2193-2206 (2009).
5) Z. Smedarchina,
M.F. Shibl, O. Kühn, and A. Fernández-Ramos
The Kinetics of the Tautomerism in Porphycene and its
Isotopomers - Concerted Versus Stepwise Mechanisms.
Chem. Phys. Lett. 436, 314-321 (2007).
6) M.F. Shibl, M. Pietrzak,
H.-H. Limbach, and O. Kühn
Geometric
H/D Isotope Effects and Cooperativity of the Intramolecular Hydrogen Bonds in Porphycene.
ChemPhysChem 8, 315-321 (2007).
7) M. Pietrzak, M.F. Shibl, M. Bröring, O. Kühn, and H.-H. Limbach
1H/2H NMR
Studies of Geometric H/D Isotope Effects on the Coupled Hydrogen Bonds in Porphycene Derivatives.
J.
Am. Chem. Soc. 129, 296-304
(2007).
8) L.
González, J. Manz,
B. Schmidt, and M.F. Shibl
Optical resolution of
oriented enantiomers via photodissociation: quantum model simulations for H2POSD.
Phys.
Chem. Chem. Phys. 7, 4096-4101 (2005).
9) M.F. Shibl, M. Tachikawa,
and O. Kühn
The Geometric (H/D)
Isotope Effect in Porphycene: Grid-Based
Born-Oppenheimer Vibrational Wave Functions Versus Multi-Component Molecular Orbital Theory.
Phys.
Chem. Chem. Phys. 7, 1368-1373 (2005).
10) H.
Moustafa, M.F. Shibl, and
R. Hilal
Electronic
absorption spectra of some 2-thiouracil derivatives.
Phosphorous,
Sulfur Silicon Relat. Elem. 180(2),
459-478 (2005).
11) Kunihito
Hoki, Leticia González, M.F. Shibl, and Yuichi Fujimura
Sequential
pump-dump control of photo-isomerization competing
with photo-dissociation of optical isomers.
J. Phys. Chem. A 108(31), 6455-6463 (2004).
12) D.
Kröner, M.F. Shibl, and L.
González
Asymmetric laser
excitation in chiral molecules: quantum simulations
for a proposed experiment.
Chem. Phys. Lett. 327, 242-248 (2003).
13) H.
Moustafa, S. El-Taher, M.F.
Shibl, and R. Hilal
Equilibrium
geometry and gas-phase proton affinity of 2-thiouracil derivatives.
Int.
J. of Quant. Chem. 87(6), 378-388 (2002).
