D. Rinaldi - Concepedia

Author

D. Rinaldi

Laboratoire de Chimie Théorique ORCID

Also Known As

D. RINALDI, D. Rinaldi, Débora Rinaldi, Rinaldi, Dana

Publications

545

Citations

H-Index

Concepts

All Affiliations

Laboratoire de Chimie Théorique Centre National de la Recherche Scientifique Université de Lorraine Universitat Autònoma de Barcelona

About

D. Rinaldi is an author at Laboratoire de Chimie Théorique specializing in engineering, chemistry, and quantum chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	12	15	445
2	Chemistry	11	13	333
3	Natural Sciences	10	11	328
4	Chemical Engineering	3	3	78
5	Biochemistry	1	1	18

D. Rinaldi

Publications

483

Citations

H-Index

Page 1

	Year	Citations
Liquid state quantum chemistry : A cavity model Jean‐Louis Rivail, Bernard Terryn, D. Rinaldi, Journal of Molecular Structure THEOCHEM Quantum LiquidQuantum ScienceCavity ModelEngineeringQuantum Computing	1985	81
A new single‐center method to compute molecular integrals of quantum chemistry in slater‐type orbital basis of functions Ahmed Bouferguène, D. Rinaldi International Journal of Quantum Chemistry Numerical AnalysisMolecular IntegralsNuclear PhysicsPhysicsEngineering	1994	64
Integrals over <b>B</b> functions basis sets. I. Three-center molecular integrals, a numerical study Ahmed Bouferguène, M’Barek Fares, D. Rinaldi The Journal of Chemical Physics Numerical AnalysisNumerical StudyNumerical ComputationEngineeringSlater-type Orbitals	1994	39
A QM/MM/continuum model for computations in solution: Comparison with QM/MM molecular dynamics simulations Stéphanie Chalmet, D. Rinaldi, Manuel F. Ruiz‐López International Journal of Quantum Chemistry EngineeringMaterial SimulationComputational ChemistryChemistryMolecular Dynamics	2001	39
Water dimer in liquid water J. Bertrán, M. F. Ruiz-L�pez, D. Rinaldi, Theoretical Chemistry Accounts Liquid-liquid FlowFluid MechanicsChemistryLiquid WaterSolution (Chemistry)	1992	38
Studies of solvent effects using density functional theory. Co-operative interactions in H3N…HBr proton transfer Manuel F. Ruiz‐López, F. Bohr, Marilia T. C. Martins‐Costa, Chemical Physics Letters Chemical EngineeringEngineeringSolvent EffectsProton TransferProton-coupled Electron Transfer	1994	36
Theoretical calculation of vibrational polarizabilities. An application to the study of conformational and solvent effects D. Rinaldi, Manuel F. Ruiz‐López, M.T.C. Martins Costa, Chemical Physics Letters Vibronic InteractionTheoretical CalculationSolvent EffectsPhysicsEngineering	1986	30
Influence of environment on proton-transfer mechanisms in model triads from theoretical calculations G.-S. Li, Bernard Maigret, D. Rinaldi, Journal of Computational Chemistry EngineeringNuclear PhysicsProton-coupled Electron TransferSerine ProteasesComputational Chemistry	1998	28
Nonequilibrium solvent effects on the <i>S</i> <i>N</i>2 reaction using a self-consistent reaction field continuum model based on multipole expansions Manuel F. Ruiz‐López, D. Rinaldi, J. Bertrán The Journal of Chemical Physics EngineeringComputational ChemistryChemistryChemical ProcessesSolution (Chemistry)	1995	24
Synthesis of β-Lactams from Fluoroketenes and Imines: Ab Initio Potential Energy Surfaces in Gas Phase and in Solution Raḿon López, Manuel F. Ruiz‐López, D. Rinaldi, The Journal of Physical Chemistry Chemical EngineeringEngineeringGas PhaseFluorous SynthesisContinuum Solvent Model	1996	24

Page 1