ecdm 5 charge density
ecdm introduction charge density qtaim
ecdm accommodation hotel
ecdm committees scientific organizing
ecdm 5 contacts
ecdm 5 participants
ecdm 5 prices
ecdm 5 program charge density
ecdm 5 registration conference
ecdm social program como gravedona lake
ecdm 5 sponsors
ecdm 5 topics lectures symposia
ecdm 5 abstracts
ecdm 5 venue travel
ecdm 5 links
Realizzazione Sito Web Como

ECDM 5 Abstract Submission

Deadlines for abstract submission have expired! It is too late to be included in the book of abstract now

If you are presenting a poster, please consider that the size of the poster holder is 180 cm (high) x 95 cm (large)

If you are presenting a lecture, the computer at the conference site will be running MS Powerpoint 2007 under windows XP. If your presentation uses a different program or OS (or a more recent version of PowerPOint), please contact us (or otherwise we expect you will be using your own laptop


Approved Abstracts (poster approval procedure is in due course)

Surname Name Title Type MS
         
AndraeDirkTHE STATIONARY STATES OF THE TWO-ELECTRON ATOMposterMS6
BakJoannaInfluence of different models applied on refinement of experimental charge densities?
BaroneVincenzoSpin density and magnetic properties of organic free radicalstalkKN11
BenkőZoltánSTRUCTURE AND STABILITY OF THIIRANE AND SELENIRANE RINGSMS6
BlancoMiguel A.Flux-line bundles in crystals and moleculesposterMS6
BohorquezHugo J.THE LOCAL REPRESENTATION OF OBSERVABLES: TOWARD A UNIFIED THEORY IN QUANTUM CHEMISTRY?talkMS4
BorissovaAlexandraThe investigation of charge density distribution in Π-complexes via high-resolution XRD posterMS7
BrezaMartinON METAL-METAL BONDING IN BRIDGED BINUCLEAR CARBONYL CLUSTERS posterMS4
CasatiNicolaTHE EFFECTS OF HIGH PRESSURE ON SOFT CHEMICAL INTERACTIONS.talkMS1
ChoukriHasnaDFT AND CCSD(T) STUDY OF THE DISILENYL(Si2H3) AND THE DISILENE (Si2H4) ISOMERIZATION, UNPRECEDENTED ISOMERIC STRUCTURES.MS7
CivalleriBartolomeoB3LYP AUGMENTED WITH AN EMPIRICAL DISPERSION TERM AS APPLIED TO MOLECULAR CRYSTALStalkMS7
ClausenHenrikβ- HYDROQUINONE ACETONITRILE CLATHRATE: INSIGHT INTO HOST-GUEST CHEMISTRY?
Contreras-GarcíaJuliaANSWERS TO SOME CONTROVERSIAL QUESTIONS IN CO2 FROM ELECTRONIC STRUCTUREMS1
CoppensPhilipINTERMOLECULAR INTERACTIONS: A MULTIPOLAR MODEL APPROACHtalkMS7
Cortes-GuzmanFernandoStructural and bond evolution in organic reactions mechanismstalkMS6
CostalesAuroraEvolution of the electron distributions in heterodiatomic isoelectronic series of molecules.MS6
DAHAOUISlimaneUNDERSTANDING THE HALOGEN...X (X=HALOGEN, LEWIS BASE) INTERACTIONS: APPLICATION TO CHARGE TRANSFER COMLEXES.talkKN8
DittrichBirgerIncluding theoretical information for obtaining additional and more reliable information from X-ray diffraction data: On disorder, Hydrogen ADPs, larger molecules of biological interest and the interaction densitytalkKN5
DolsThomasIntramolecular Interactions In Bisphenolato Metal ComplexesMS7
DomagalaSlawomirGENERALIZATION OF THE EXPERIMENTAL MULTIPOLAR PSEUDO-ATOM LIBRARYtalkMS3
EberhartMarkBONDS IN MOLECULEStalkMS6
EspinosaEnriqueTHE RELEVANCE OF THE TOPOLOGICAL ANALYSIS OF THE ELECTROSTATIC POTENTIAL IN MOLECULAR INTERACTIONStalkMS7
FarrugiaLouisCOMBINED EXPERIMENTAL AND THEORETICAL CHARGE DENSITY STUDY ON 3-AMINO-PROPANOLATO CU(II) COMPLEXES MS2
ferrarianna maria A LOCAL MP2 PERIODIC STUDY OF THE INTERACTION BETWEEN THE CO MOLECULE AND THE MGO(100) SURFACEMS7
ForniAlessandraHALOGEN BONDING INTERACTION: INVESTIGATION THROUGH CHARGE DENSITY STUDIES AND APPLICATIONS IN THE DESIGN OF NEW FUNCTIONAL MATERIALStalkMS2
ForniAlessandraEXPERIMENTAL MULTIPOLE-REFINED CHARGE DENSITY STUDY OF NaScSi2O6 CLINOPYROXENEMS2
FranciscoEvelioDomain averaged Fermi hole orbitals provide independent electron distribution functions in real spaceMS6
FroncMarekCharge density study of copper compounds MS6
GavezzottiAngeloCharge density and intermolecular potential. Towards a theory of molecular aggregation and crystallizationTalkKN6
GilletJean-MichelMAKING POSSIBLE THE REFINEMENT OF REDUCED DENSITY MATRICES: THE LEGACY OF NIELS HANSEN talkMS5
GoetzKathrinON THE ROLE OF PAULI REPULSION FOR METAL-METAL BONDING IN DINUCLEAR TRANSITION METAL COMPLEXESMS4
GorfmanSemenCrystallography under external electric fieldtalkMS1
GrabowskySimonHOW TO TUNE THE SILOXANE LINKAGE INTO A GOOD ACCEPTOR FOR HYDROGEN BONDING? – EXPLORING THE ED AND THE ELF FOR DIFFERENT SI-O-SI ANGLESposterMS4
GrylMarlenaComparative charge density studies for polymorphs of barbituric acid – urea addition compound MS7
HaufChristophElectron Localization in Transition Metal CarbidesMS2
HaukkaMattiCHARGE DENSITY DISTRIBUTION STUDY OF MAGNESIUM AND COBALT BISPHOSPHONATESMS7
Hernandez-TrujilloJesusEnergetic and Electron Density Analysis of the Dissociation of Protonated BenzeneMS6
HerzVerenaCONTROL OF C-H-ACTIVATION IN LATE TRANSITION METAL COMPLEXESMS7
HerzVerenaGuanidin-ligand induced accumulation of electron density in Group 10 metal complexes and possible applications in homogeneous catalysisMS7
HicksteinDanielCan a diffraction experiment provide reliable optical properties?MS5
HuebschleChristian B.MolIso and MoleCoolQt: Programs that make the practice of charge density refinement easier posterMS5
iversenboAPPLICATION OF SYNCHROTRON X-RAY CHARGE DENSITIES IN MATERIALS CHEMISTRYtalkMS3
JarzembskaKatarzynaELECTROSTATIC INTERACTIONS OF SELECTED WATERS IN THE ACTIVE SITE OF INFLUENZA NEURAMINIDASE – INHIBITOR COMPLEXES?
JauchWolfgangCharge density in ferromagnetic iron and nickel from gamma-ray diffractiontalkMS2
JørgensenMads R. V.HIGH SPATIAL RESOLUTION CHARGE DENSITY SETUP AT CHEMMATCARS, SECTOR15 AT ADVANCED PHOTON SOURCEMS2
JohnsonLuciusMECHANISM OF ELECTRONIC STABILIZATION OF THE 3MR AND DIVALENT CARBON OF CYCLOPROPENYLIDENE BY AMINO-SUBSTITUTION: COMPARISON OF TOPOLOGY OF THE ELECTRON DENSITY AND ORBITAL ANALYSIS METHODS.MS6
Könczöl LászlóON THE WAY TO UNDERSTANDING THE ELECTRONIC STRUCTURE OF THE Al-O BONDSMS6
KerstiHermanssonELECTRON DENSITY MAPS HELP EXPLAIN O-H VIBRATIONAL FREQUENCY SHIFTStalkMS7
KloecknerJan-PeterInvestigations on the Nature of H--H Bonding Interactions in Co-Salophene ComplexestalkMS7
KozisekJozefTREATMENT OF CCD DIFFRACTION DATA FOR CHARGE DENSITY STUDIES OF 3d- COMPLEXESposterMS2
KrawczukAnnaPreliminary charge density studies of chlorokojic acid. MS7
LecomteClaudeFROM MINERALS TO PROTEINS: A REVIEW OF SUCCESS AND PITTFALLS OF THE MUTIPOLAR ATOM REFINEMENTtalkMS5
LehmannChristian W.ELECTRON DENSITY STUDY OF A NICKEL DIAMINO-CARBENE CATALYSTMS3
Lo PrestiLeonardoTHE MULTIPOLAR MODEL BIAS ON PRIMARY DENSITIES AS REVEALED BY THE SOURCE FUNCTION DESCRIPTORMS4
LugerPeterEXPERIMENTAL ELECTRON DENSITY WORK IN THE LIFE SCIENCES: FROM SMALL TO MACROMOLECULEStalkKN9
MadsenAndersAnisotropic displacement parameters for molecular crystals from periodic HF and DFT calculations MS5
MakalAnnaEXPERIMENTAL CHARGE DENSITY STUDIES OF FERROCENE DERIVATIVES MS7
MartinPendasAngelLong live the QTAIM. New ideas in the Quantum theory of Atoms in Molecules.TalkKN1
MassaLouThe transition state for formation of the peptide bond in the ribosometalkMS6
MattaCherifATOMIC PARTITIONING OF THE ENERGY OF REACTION: THE HYDROLYSIS OF ADENOSINE 5’-TRIPHOSPHATE (ATP) MS6
MebsStephanCHARGE DENSITIY OF B12-VITAMINStalkMS3
MeindlKathrinApplications of residual-density analysisMS5
Mejia-MazariegosLuisForce and topology of electron density in some chemical reactionMS7
MonacoGuglielmoMagnetic Euripi in CorannuleneMS6
NelyubinaYuliaAnion-anion interactions in ionic crystals talkMS7
NussHanneExperimental Electron Density Analysis of a Cyclopropyl Tris(pyrazolyl)boratoniobium Complex - Preliminary ResultsMS7
Otero de la RozaAlbertoEvolution of the electron density flatness along the Periodic System talkMS4
Otero de la RozaAlbertoCritic: a new QTAM code for solid state densitiesMS6
OvergaardJacobEXPERIMENTAL AND THEORETICAL CHARGE DENSITY STUDY OF CHEMICAL BONDING IN A CO DIMER COMPLEXMS2
PerasinovaLuciaESTIMATION OF SYSTEMATIC ERRORS IN EXPERIMENTAL DATA SET BY COMPARISON WITH THEORETICAL STRUCTURE FACTORSMS5
PietschUllrichTHE POSSIBILITIES FOR FUTURE USE OF NEW PN CCD FOR TIME RESOLVED CHARGE DENSITY ANALYSISMS2
ProbstMichaelPREDICTING THE SITES OF ELECTRON ATTACHMENT TO BIOMOLECULESMS7
RabillerPhilippeSENSITIVITY OF 4f ELECTRONS TO THEIR CHEMICAL ENVIRONMENTMS2
RabillerPhilippeMETAL TO INSULATOR PHASE TRANSITION IN EDOTTF2-PF6MS2
robertodovesiTHE ROLE OF CHARGE AND SPIN DENSITY IN THE QUANTUM MECHANICAL SIMULATION OF CRYSTALLINE SOLIDS. THE CASE OF X3Y2SI3O12 GARNETS. talkKN3
RuiminWangstrong hydrogen bonds in guanidinium squarateMS7
ScheinsStephanCharge density study of agostic (C-C)Ti interactions in Ti(C5H4Me)2(CH2)2CMe2?
SoaveRaffaellaPROGRESS IN THE EVALUATION OF INTERMOLECULAR INTERACTION ENERGIES FROM X-RAY DIFFRACTION DATAMS7
SpackmanMarkINTERMOLECULAR INTERACTIONS IN MOLECULAR CRYSTALS: HYDROGEN BONDING OR CRYSTAL FIELD EFFECTS?talkMS7
SpasojevicAnnePREDICTION OF NON-COVALENT INTERACTIONS GENERATED BY A DECAVANADATE ANION. THE USE OF TWO EXPERIMENTAL ELECTROSTATIC STUDIES.MS7
SvendsenHellePhoto magnetic complexes - structures of excited statesMS2
TABTICharefElectron–Density Study of DimethylAminoCyanoBiphenyl in the monoclinic Structure MS7
TakataMasakiTHE MEM CHAREG DENSITY & ELECTROSTATIC POTENTIAL STUDY WITH NANO-APPLICATIONStalkMS2
TianaDavideEFFECTS OF CRYSTAL PACKING ON THE ELECTRON DENSITY OF METAL CARBONYL COMPLEXES MS7
TrappNilsCu(CO2)2[Al(OCH(CF3)2)4] as a benchmark compound to establish in-house electron density studies on stock equipmentMS7
Van der MaelenJuan FranciscoZN-ZN AND ZN-C BONDS IN Zn2(Eta5-C5Me5)2 STUDIED FROM EXPERIMENTAL AND THEORETICAL ELECTRON DENSITIESposterMS4
VladimirTsirelsonTHE EXPERIMENTAL AND THEORETICAL STUDY OF MOLECULAR INTERACTIONS IN CHLORINE TRIFLUORIDE MS7
WagnerFrankTopological Decomposition and Reconstruction of the Electron Localizability IndicatortalkMS4
WagnerSebastianA NEW APPROACH TO OVERCOME THE EXTINCTION PROBLEM IN CHARGE DENSITY ANALYSIS MS2
WedigUlrichUnusual short intermolecular halogen-halogen contacts in chlorinated derivatives of fullerenesposterMS7
WeihrichRichard AIM STUDY OF HALFANTIPEROVSKITES ANI3/2S (A = IN, PB)talkMS1
WrightJonathanAccurate low resolution data for proteins from powder diffractiontalkMS3
XieYuChemical bonding at extreme conditions: a few extreme examples and new trendstalkKN4
University of Insubria ComoISTM CNRUniversity of Milan