Departamento de Química Física
Departamento
Universidade de Coimbra
Coímbra, PortugalPublicacións en colaboración con investigadores/as de Universidade de Coimbra (17)
2020
-
Counterion effect on sulfonatocalix[n]arene recognition
Pure and Applied Chemistry, Vol. 92, Núm. 1, pp. 25-37
2017
-
A journey from calix[4]arene to calix[6] and calix[8]arene reveals more than a matter of size. Receptor concentration affects the stability and stoichiometric nature of the complexes
Physical Chemistry Chemical Physics, Vol. 19, Núm. 21, pp. 13640-13649
-
Investigation of the binding modes of a positively charged pillar[5]arene: internal and external guest complexation
Organic and Biomolecular Chemistry, Vol. 15, Núm. 4, pp. 911-919
2013
-
Cholesterol and POPC segmental order parameters in lipid membranes: Solid state 1H-13C NMR and MD simulation studies
Physical Chemistry Chemical Physics, Vol. 15, Núm. 6, pp. 1976-1989
2012
-
Intermolecular potentials for simulations of collisions of SiNCS + and (CH 3) 2SiNCS + ions with fluorinated self-assembled monolayers
Chemical Physics, Vol. 399, pp. 193-204
-
Syringeable Pluronic-α-cyclodextrin supramolecular gels for sustained delivery of vancomycin
European Journal of Pharmaceutics and Biopharmaceutics, Vol. 80, Núm. 1, pp. 103-112
2008
-
Segmental order parameters in a nonionic surfactant lamellar phase studied with 1H-13C solid-state NMR
Physical Chemistry Chemical Physics, Vol. 10, Núm. 39, pp. 6033-6038
2007
-
Symmetry numbers and chemical reaction rates
Theoretical Chemistry Accounts, Vol. 118, Núm. 4, pp. 813-826
2006
-
Trajectory dynamics study of collision-induced dissociation of the Ar + CH4 reaction at hyperthermal conditions: Vibrational excitation and isotope substitution
Journal of Physical Chemistry A, Vol. 110, Núm. 22, pp. 7113-7121
2005
-
Quasiclassical dynamics simulation of the collision-induced dissociation of Cr (CO)6
+ with Xe
Journal of Chemical Physics, Vol. 123, Núm. 15
-
Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: The importance of zero-point-energy effects
Journal of Physical Chemistry A, Vol. 109, Núm. 24, pp. 5415-5423
2004
-
Quasiclassical trajectory study of the collision-induced dissociation of CH3SH++Ar
Journal of Chemical Physics, Vol. 121, Núm. 6, pp. 2571-2577
2003
-
Dynamics calculations for the Cl+C2H6 abstraction reaction: Thermal rate constants and kinetic isotope effects
Journal of Chemical Physics, Vol. 118, Núm. 14, pp. 6280-6288
2002
-
A VTST study of the H + O3 and O + HO2 reactions using a six-dimensional DMBE potential energy surface for ground state HO3
Journal of Physical Chemistry A, Vol. 106, Núm. 16, pp. 4077-4083
-
Unimolecular reaction dynamics of hso. Analysis of the influence of different barrier samplings on the product energy distributions
Physical Chemistry Chemical Physics, Vol. 4, Núm. 2, pp. 279-287
2001
-
A direct dynamics study of the H2 elimination from 2,5-dihydrofuran
Journal of Chemical Physics, Vol. 115, Núm. 17, pp. 7872-7880
-
Single-valued DMBE potential energy surface for HSO: A distributed n-body polynomial approach
Journal of Physical Chemistry A, Vol. 105, Núm. 24, pp. 5923-5932