Carlos Jaime

Carbon-13 NMR chemical shifts. A single rule to determine the conformation of calix[4]arenes

Carlos Jaime, Javier de Mendoza, Pilar Prados et al. · The Journal of Organic Chemistry · 1991 · 560 citations

Altmetrics, Engineering, Donut Icon +14

Molecular dynamics simulation studies of liquid acetonitrile: New six-site model

Xavier Grabuleda, Carlos Jaime, Peter A. Kollman · Journal of Computational Chemistry · 2000 · 141 citations

Molecular Kinetics, Chemical Thermodynamics, Engineering +13

Determination of the Inclusion Geometry for the β-Cyclodextrin/Benzoic Acid Complex by NMR and Molecular Modeling

Dolors Salvatierra, Carlos Jaime, Albert Virgili et al. · The Journal of Organic Chemistry · 1996 · 120 citations

Engineering, Biochemistry, Natural Sciences +13

A reparameterization of empirical hydrocarbon force field MM2 for improved performance in torsional energy surface calculations

Carlos Jaime, Eiji Ōsawa · Tetrahedron · 1983 · 91 citations

Improved Performance, Engineering, Physics +7

α-, β-, and γ-Cyclodextrin Dimers. Molecular Modeling Studies by Molecular Mechanics and Molecular Dynamics Simulations

Pascal Bonnet, Carlos Jaime, Luc Morin‐Allory · The Journal of Organic Chemistry · 2001 · 72 citations