CORDIS Archive
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Marie Curie Research Training GrantsTraining and Mobility of ResearchersC-05 : Computational Chemistry & Modelling
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| FMBICT950032 | DEVELOPMENT OF ACCURATE INTERMOLECULAR POTENTIALS : IMPROVING THE DESCRIPTION OF THE SHORT-RANGE TERMS |
| FMBICT950070 | STRUCTURE AND DYNAMICS OF CLUSTERS |
| FMBICT950119 | A CORRELATED AB-INITIO STRATEGY FOR THE CALCULATION OF PERIODIC SYSTEMS |
| FMBICT950168 | SOLVATION IN LIGAND-RECEPTOR RECOGNITION. |
| FMBICT950221 | MOLECULAR MODELLING OF STARCH GRANULE ULTRASTRUCURE TO IMPROVE OUR UNDERSTANDING REACTIVE SITES AND SUCCEPTIBILITY TO CHEMICAL AND ENZYMATIC ATTACK |
| FMBICT950330 | DFT STUDY OF METAL PARTICLES ON SUPPORT OXIDES |
| FMBICT960676 | DEVELOPMENT OF A FAST-FOURIER-TRANSFORM FULLY NUMERICAL PROGRAM FOR DENSITY FUNCTIONAL THEORY CALCULATIONS |
| FMBICT960738 | RELATIVISTIC CALCULATION OF ELECTRIC AND MAGNETIC PROPERTIES OF MOLECULES |
| FMBICT960739 | IMPLEMENTATION AND APPLICATION OF INTRINSIC REACTION COORDINATE METHODS BASED ON DFT-SCHEMES FOR THE INVESTIGATION OF METALORGANIC REACTION MECHANISM |
| FMBICT960807 | A THEORETICAL AND EXPERIMENTAL STUDY OF BOND ACTIVATION BY GAS-PHASE COMPLEXATION OF AMINO ACIDS WITH METAL CATIONS |
| FMBICT960938 | MODELLING OF SOLID CATALYSTS |
| FMBICT960996 | QUANTUM-CHEMICAL STUDIES OF THE CATALYTIC PROPERTIES OF ZEOLITES WITH DENSITY FUNCTIONAL THEORY |
| FMBICT961064 | INSIGHTS INTO MOLECULAR RECOGNITION THROUGH ANALYSIS OF X-RAY CRYSTALLOGRAPHIC DATABASES |
| FMBICT961382 | THEORETICAL STUDY OF ELEMENTARY MECHANISMS IN HYDRODESULFURIZATION WITH TRANSITION METAL SULFIDES CATALYSTS |
| FMBICT961469 | RESEARCH PROJECT ON HIGH FIELD NMR AND MOLECULAR. DYNAMICS STUDY OF INTER- ACTION BETWEEN DNA AND MODIFIED HOECHST 33258. |
| FMBICT961512 | MULTICONFIGURATION TIME-DEPENDENT HARTREE (MCTDH) IN MOLECULAR DYNAMICS: APPLICATION TO REACTIVE SCATTERING. |
| FMBICT961649 | QUANTUM-CHEMICAL MODELLING OF PARAMAGNETIC DEFECTS AT OXIDE SURFACES |
| FMBICT961680 | STRUCTURE-BASED DRUG DISCOVERY. STRUCTURAL BIOLOGY OF WILD-TYPE & MUTANT FIBROBLAST GROWTH FACTOR RECEPTORS. |
| FMBICT961688 | PHOTO-INDUCED ACID-BASE CHEMISTRY IN SOLUTION: EXCITED STATE PHENOL REACTIONDYNAMICS IN WATER. |
| FMBICT971922 | THEORETICAL STUDY OF STATIC AND FREQUENCY-DEPENDENT MAGNETO-OPTICAL PROPERTIES |
| FMBICT971946 | A THEORETICAL STUDY OF THE ADSORPTION OF WATER ON SODIUM CHLORIDE. |
| FMBICT972041 | THE ELECTROWEAK ORIGIN OF BIOMOLECULAR CHIRALITY |
| FMBICT972056 | THEORETICAL STUDY OF THE HEMOGLOBIN CO-OPERATIVE OXYGEN BINDING MECHANISM BYQUANTUM MECHANICAL AND MOLECULAR DYNAMICS CALCULATIONS. |
| FMBICT972134 | TRYPTOPHAN (TRP) PHOTOPHYSICS |
| FMBICT972176 | FREE ENERGY SURFACES AND DYNAMICS OF PROTEIN FOLDING BY THEORY AND EXPERIMENT |
| FMBICT972223 | ELECTRONIC STRUCTURE AND CHEMICAL PROCESSES IN MOLECULES |
| FMBICT972312 | EFFECTS OF SOLVATION OF AEROSOL SODIUM CHLORIDE CRYSTALS ON ATMOSPHERIC REACTIONS |
| FMBICT972434 | MOLECULAR THEORY AND COMPUTER SIMULATION OF FLEXOELECTRIC EFFECTS IN NEMATIC LIQUID CRYSTALS |
| FMBICT972464 | DENSITY FUNCTIONAL THEORY OF ELECTRON-ION MIXTURES : PHASE TRANSITIONS IN LIQUID METALS |
| FMBICT972511 | APPLICATION OF RIGOROUS QUANTUM THEORY TO 'WALDEN INVERSION' ORGANIC REACTIONS |
| FMBICT972548 | ASSOCIATIONS IN LIQUIDS AND SOLUTIONS: HYDROGEN BONDS, ION PAIRS, AND PREFERENTIAL SOLVATION |
| FMBICT972568 | EVALUATION OF METHODS FOR PREDICTION OF CONFORMATION OF LOOPS, AND THEIR APPLICATION TO THE MODELLING OF 3-D STRUCTURE OF PROTEINS |
| FMBICT972828 | MECHANISM FOR PHOTOCHEMICAL ENERGY STORAGE AND CONVERSION IN EXTENDED SYSTEMS |
| FMBICT982911 | SPIN-ORBIT INTERACTION AND OTHER RELATIVISTIC EFFECTS ON MAGNETIC RESONANCE SPECTRAL PARAMETERS |
| FMBICT983004 | FIRST PRINCIPLES INVESTIGATION OF MOLECULAR PROCESSES ON THE SURFACES OF TIN OXIDE |
| FMBICT983007 | MOLECULAR AND MESOSCOPIC MODELLING OF POLYMER (AND/OR SURFACTANT)/BIOACTIVE MOLECULE MIXTURES IN AQUEOUS SOLUTION AND AT SOLID/LIQUID INTERFACES |
| FMBICT983039 | DEVELOPMENT OF NEW FUNCTIONALS IN DFT METHODS: THEORY AND APPLICATIONS |
| FMBICT983137 | DEVELOPMENT OF THEORETICAL AND COMPUTATIONAL METHODS FOR STUDYING THERMODYNAMICS OF MOLECULAR SYSTEMS |
| FMBICT983279 | MAGNETIC INTERACTIONS IN LOW-DIMENSIONAL HEISENBERG SYSTEMS |
| FMBICT983355 | STUDY OF ELECTRONIC AND DYNAMIC PROPERTIES OF LARGE VAN DER WAALS COMPLEXES |
Last uptated : 10:07:98
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