Browsing by Author Overgaard, Jacob

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Showing results 1 to 15 of 15
Issue DateTitleAuthor(s)Citation
2016An analysis of the experimental and theoretical charge density distributions of the piroxicam-saccharin co-crystal and its constituentsDu, Jonathan; Groundwater, Paul; Hibbs, David; Varadi, Linda; Williams, Peter; Overgaard, Jacob; Platts, James; Pharmacy; Pharmacy; Pharmacy; Pharmacy; ChemistryAn analysis of the experimental and theoretical charge density distributions of the piroxicam-saccharin co-crystal and its constituents, RSC Advances, vol.6, 85, 2016,pp 81578-81590
2016A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicamDu, Jonathan; Groundwater, Paul; Hibbs, David; Lai, Felcia; Varadi, Linda; Williams, Peter; Baker, Daniel; Overgaard, Jacob; Platts, James; Pharmacy; Pharmacy; Pharmacy; Pharmacy; Pharmacy; ChemistryA comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam, Physical Chemistry Chemical Physics, vol.18, 41, 2016,pp 28802-28818
2003Electron density distributions of redox active mixed valence carboxylate bridged trinuclear iron complexesOvergaard, Jacob; Iverson, B.O; Larsen, Finn K; Schoitt, Birgit; ChemistryElectron density distributions of redox active mixed valence carboxylate bridged trinuclear iron complexes, Journal of the American Chemical Society, vol.125,(36),2003,pp 11088-11099
2003The electron density in flavones I. BaicaleinHambley, Trevor; Hibbs, David; Overgaard, Jacob; Gatti, Carlo; Chemistry; Pharmacy; ChemistryThe electron density in flavones I. Baicalein, New Journal of Chemistry, vol.27,(9),2003,pp 1392-1398
2007Experimental and Theoretical Charge Density Distribution in Two Ternary Cobalt(III) Complexes of Aromatic Amino AcidsHibbs, David; Waller, Mark; Emseis, Paul; Leverett, Peter; Overgaard, Jacob; Piltz, Ross O; Platts, James A.; Williams, Peter A.; Pharmacy; PharmacyExperimental and Theoretical Charge Density Distribution in Two Ternary Cobalt(III) Complexes of Aromatic Amino Acids, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(40),2007,pp 10123-10133
2004Experimental And Theoretical Charge Density Studies Of Tetrafluorophthalonitrile And TetrafluoroisophthalonitrileHibbs, David; Overgaard, Jacob; Waller, Mark; Hursthouse, Michael B.; Platts, James A.; Pharmacy; Chemistry; PharmacyExperimental And Theoretical Charge Density Studies Of Tetrafluorophthalonitrile And Tetrafluoroisophthalonitrile, The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol.108,(11),2004,pp 3663-3672
2003Experimental and theoretical charge density study of the neurotransmitter TaurineAustin-Woods, Charles; Hibbs, David; Overgaard, Jacob; Turner, Peter; Platts, James A.; Chemistry; Pharmacy; Chemistry; ChemistryExperimental and theoretical charge density study of the neurotransmitter Taurine, Chemistry: A European Journal, vol.9,(5),2003,pp 1075-1084
2003Experimental and theoretical charge distribution in (Z)-N-methyl-C-phenylnitroneHanrahan, Jane; Hibbs, David; Overgaard, Jacob; Turner, Peter; Waller, Mark; Hursthouse, Michael B.; Knight, D.W.; Piltz, Ross O; Pharmacy; Pharmacy; Chemistry; Chemistry; PharmacyExperimental and theoretical charge distribution in (Z)-N-methyl-C-phenylnitrone, Organic & Biomolecular Chemistry, vol.11,(6),2003,pp 1034-1040
2003Experimental and theoretical electron density distribution and magnetic properties of the buterfly-like complex [Fe4O2(O2CCMe3)8(NC5H4Me)2].2CH3CNHibbs, David; Overgaard, Jacob; Larsen, Finn K; Rentschler, Eva; Timco, G; Pharmacy; ChemistryExperimental and theoretical electron density distribution and magnetic properties of the buterfly-like complex [Fe4O2(O2CCMe3)8(NC5H4Me)2].2CH3CN, Inorganic Chemistry, vol.42,(23),2003,pp 7593-7601
2005Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylateHibbs, David; Howard, Sian; Nguyen, Thanh; Overgaard, Jacob; Pharmacy; Pharmacy; Pharmacy; ChemistryExperimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate, Organic & Biomolecular Chemistry, vol.3,(3),2005,pp 441-447
2007Experimental electron density study of a complex between copper(ii) and the antibacterial quinolone family member ciprofloxacinHibbs, David; Overgaard, Jacob; Turel, Iztok; PharmacyExperimental electron density study of a complex between copper(ii) and the antibacterial quinolone family member ciprofloxacin, Dalton Transactions, vol.2007,(21),2007,pp 2171-2178
2003FlavoneHambley, Trevor; Hanrahan, Jane; Hibbs, David; Overgaard, Jacob; Waller, Mark; Chemistry; Pharmacy; Pharmacy; Chemistry; PharmacyFlavone, Acta Crystallographica. Section E: Structure Reports Online, vol.59,(6),2003,pp o767-o768
2018Monoclinic Paracetamol vs. Paracetamol-4,4'-Bipyridine Co-Crystal; What Is the Difference? A Charge Density StudyDu, Jonathan; Groundwater, Paul; Hibbs, David; Lai, Felcia; Varadi, Linda; Williams, Peter; Overgaard, Jacob; Platts, James; Pharmacy; Pharmacy; Pharmacy; Pharmacy; Pharmacy; ChemistryMonoclinic Paracetamol vs. Paracetamol-4,4'-Bipyridine Co-Crystal; What Is the Difference? A Charge Density Study, Crystals, vol.8, 46, 2018,pp 1-17
2003Testing theory beyond molecular structure: electron density distributions of complex moleculesOvergaard, Jacob; Iverson, B.O; Larsen, K; SCHIOTT, B; ChemistryTesting theory beyond molecular structure: electron density distributions of complex molecules, International Journal of Quantum Chemistry, vol.96,(N/A),2003,pp 23-31
2003X-N charge density analysis of the hydrogne bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanoneHibbs, David; Overgaard, Jacob; Piltz, Ross O; Pharmacy; ChemistryX-N charge density analysis of the hydrogne bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanone, Organic & Biomolecular Chemistry, vol.1,(7),2003,pp 1191-1198