Jean-Claude Lorquet
Encyclopedia
Jean-Claude Lorquet is a professor of Theoretical Chemistry
at the University of Liège
. He is member of the International Academy of Quantum Molecular Science
and author of over 100 scientific papers.
Some of his students are also well-known for their contribution to quantum chemistry and reactivity: Michèle Desouter-Lecomte, Bernard Ley, Françoise Remacle.
Lorquet was born in Liège, Belgium
.
Theoretical chemistry
Theoretical chemistry seeks to provide theories that explain chemical observations. Often, it uses mathematical and computational methods that, at times, require advanced knowledge. Quantum chemistry, the application of quantum mechanics to the understanding of valency, is a major component of...
at the University of Liège
University of Liège
The University of Liège , in Liège, Wallonia, Belgium, is a major public university in the French Community of Belgium. Its official language is French.-History:...
. He is member of the International Academy of Quantum Molecular Science
International Academy of Quantum Molecular Science
The International Academy of Quantum Molecular Science is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members were Raymond Daudel, Per-Olov Löwdin, Robert G. Parr, John...
and author of over 100 scientific papers.
Some of his students are also well-known for their contribution to quantum chemistry and reactivity: Michèle Desouter-Lecomte, Bernard Ley, Françoise Remacle.
Lorquet was born in Liège, Belgium
Belgium
Belgium , officially the Kingdom of Belgium, is a federal state in Western Europe. It is a founding member of the European Union and hosts the EU's headquarters, and those of several other major international organisations such as NATO.Belgium is also a member of, or affiliated to, many...
.
Important contributions
- Theory of mass spectraMass spectrometryMass spectrometry is an analytical technique that measures the mass-to-charge ratio of charged particles.It is used for determining masses of particles, for determining the elemental composition of a sample or molecule, and for elucidating the chemical structures of molecules, such as peptides and...
. - Study of reaction pathReaction coordinateIn chemistry, a reaction coordinate is an abstract one-dimensional coordinate which represents progress along a reaction pathway. It is usually a geometric parameter that changes during the conversion of one or more molecular entities....
s and of dissociation mechanisms of electronically excited molecular ionIonAn ion is an atom or molecule in which the total number of electrons is not equal to the total number of protons, giving it a net positive or negative electrical charge. The name was given by physicist Michael Faraday for the substances that allow a current to pass between electrodes in a...
s. - Nonadiabatic interactionsVibronic couplingIn theoretical chemistry, the vibronic coupling terms, , are proportional to the interaction between electronic and nuclear motions of molecules. The term "vibronic" originates from the concatenation of the terms "vibrational" and "electronic"...
. - Avoided crossingAvoided crossing[Image:Avoided_crossing.png|thumb|right|300px|An avoided energy level crossing in a two level system subjected to an external magnetic field. Note the energies of the diabatic states, \scriptstyle...
s and conical intersectionConical intersectionIn quantum chemistry, a conical intersection of two potential energy surfaces of the same spatial and spin symmetries is the set of molecular geometry points where the two potential energy surfaces are degenerate . Conical intersections are ubiquitous in both trivial and non-trivial chemical...
s. - Transition probabilities between two coupled potential energy surfacePotential energy surfaceA potential energy surface is generally used within the adiabatic or Born–Oppenheimer approximation in quantum mechanics and statistical mechanics to model chemical reactions and interactions in simple chemical and physical systems...
s. - Statistical calculation of rate constants of nonadiabatic reactions.
- Validity of statistical theories of unimolecular reactions under collision-free conditions.
- Study of intramolecular vibrational energy relaxation, of phase spacePhase spaceIn mathematics and physics, a phase space, introduced by Willard Gibbs in 1901, is a space in which all possible states of a system are represented, with each possible state of the system corresponding to one unique point in the phase space...
sampling and of unimolecular laws of decayResonanceIn physics, resonance is the tendency of a system to oscillate at a greater amplitude at some frequencies than at others. These are known as the system's resonant frequencies...
via autocorrelation functions. - Occurrence of quantum effects in competitive unimolecular reactions.