-
Chapter and Conference Paper
Atomic Electric Multipole and Polarizability Models for C \(_6\) X \(_6\) Molecules (X = F, Cl, Br)
Models atomic and of distributed on atomic sites have been optimized for hexafluoro-, hexachloro-, and from ab initio calculations at the second order of Moeller-Plesset perturbation method in an au...
-
Chapter
Circulation in the Mediterranean Sea
The overall functioning of the Mediterranean Sea, which transforms Atlantic Water (AW) into Mediterranean Waters (MWs), has been comprehended for a while, and the process of dense water formation, which leads...
-
Chapter
Molecular Dynamics Simulations and Intermolecular Forces
In this chapter, the main computational methods presently used in molecular modelling to compute the energy of an assembly of molecules and to perform a molecular dynamics simulation will be presented. T...
-
Article
Mission results from the first GEOSTAR observatory (Adriatic Sea, 1998)
We assess the first mission of the GEOSTAR (GEophysical and Oceanographic STation for Abyssal Research) deep-sea multidisciplinary observatory for its technical capacity, performance and quality of recorded da...
-
Article
Molecular dynamics simulation in aqueous solution of N-methylazetidinone as a model of β-lactam antibiotics
In this article, we analyze the results of a molecular dynamics simulation in aqueous solution of the N-methylazetidinone molecule, often used to model β-lactam antibiotics. The radial distribution functions (RD...
-
Article
A Hybrid Density Functional-Classical Molecular Dynamics Simulation of a Water Molecule in Liquid Water
A hybrid NVE Molecular Dynamics simulation of liquid water is presented using a coupled Density Functional/Molecular Mechanics hamiltonian. The quantum subsystem is a single water molecule described by means ...
-
Article
Deep strong currents and sediment transport in the Northwestern Mediterranean Sea
The Petit Rhône Canyon (Gulf of Lions) is incised by a narrow meandering thalweg. Two current meters were moored near the bottom, one in the channel and the other on the levee. None of the measured currents is...
-
Chapter
An Additional Analysis of Inertial Oscillations on the Continental Shelf
Inertial oscillations on the continental shelf have been studied with a theoretical model and spectral analysis of numerous time series (Millot and Crepon, 1981); the mean temperature over a specific depth int...
-
Chapter
Infra-red Remote Sensing in the Gulf of Lions
Spatial and temporal variabilities of the upwelling in the Gulf of Lions and some characteristics of the Ligurian current are studied by thermal infrared satellite imagery. Upwelling develops along straight co...