Pregled po CROSBI profilu: David Matthew Smith (CROSBI Profil: 26953, MBZ: 260506)
Pronađeno 148 radova
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26.MD and DFT study of glycerol binding in B12-dependent diol dehydratase // AMBER Molecular Dynamics workshop 2018 i Spring School in Computational Chemistry 2018 @ CSC
Espoo, Finska; Haifa, Izrael, 2018. (poster, neobjavljeni rad, znanstveni) -
27.Dynamic equilibria in supported ionic liquid phase (SILP) catalysis: in situ IR spectroscopy identifies [Ru(CO)xCly]n species in water gas shift catalysis // Catalysis Science & Technology, 8 (2018), 344-357 doi:10.1039/C7CY02199B (međunarodna recenzija, članak, znanstveni)
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28.Water Gas-Shift Reaction Catalysis in Supported Ionic Liquid Phase // International Congress Engineering of Advanced Materials-ICEAM2017Session 197Talk 73 Erlangen, Germany
Erlangen, Njemačka, 2017. str. 121-121 (predavanje, podatak o recenziji nije dostupan, ostalo, znanstveni) -
29.Wetting and Contact Angle of the [C2Mim][NTf2] Ionic Liquid at the Neutral Sapphire Interface // International CongressEngineering of Advanced Materials ICEAM2017
Erlangen, Njemačka, 2017. str. 216-216 (poster, podatak o recenziji nije dostupan, ostalo) -
30.Surface interactions between oligopeptide derivatives of salicylic acid and calcite as a model of an inorganic drug delivery system // The 10th Joint Meeting on Medicinal Chemistry : Book of Abstracts / Basarić, Nikola ; Namjesnik, Danijel ; Perković, Ivana ; Stepanić Višnja (ur.).
Zagreb: Hrvatsko kemijsko društvo, 2017. str. 145-145 (poster, sažetak, znanstveni) -
31.Interactions of tripeptide derivatives of salicylic acid with calcite surfaces // 25. Hrvatski skup kemičara i kemijskih inženjera s međunarodnim sudjelovanjem ; 3. simpozij Vladimir Prelog : knjiga sažetaka = 25th Croatian Meeting of Chemist and Chemical Engineers with international participation. 3rd symposium “Vladimir Prelog” : Book of Abstracts / Šantić, Ana ; Đaković, Marijana (ur.).
Zagreb: Hrvatsko kemijsko društvo ; Hrvatsko društvo kemijskih inženjera i tehnologa, 2017. str. 90-90 (predavanje, sažetak, znanstveni) -
32.Localization improvement of deuterium uptake in hydrogen/deuterium exchange in proteins // Journal of chemometrics, 31 (2017), 3; e2876-1 doi:10.1002/cem.2876 (međunarodna recenzija, članak, znanstveni)
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33.Organization and Wetting of [C4Mim] [Ntf2] Ionic Liquid at the Neutral Sapphire Interface // Molecular Modelling Workshop
Erlangen, Njemačka, 2016. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
34.Ionic liquids at interface // Workshop-Innovative Surfaces and Materials
Primošten, Hrvatska, 2016. (predavanje, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
35.Ionic Liqudis at Interfaces // 26th EUCHEM Conference on Molten Salts and Ionic Liquids
Beč, Austrija, 2016. (poster, podatak o recenziji nije dostupan, ostalo, znanstveni) -
36.Ionic liquids at saphire interface-The influence of charges // The 8th EAM Symposium
Bad Staffelstein, Njemačka, 2016. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
37.The role of water in the electrophoretic mobility of hydrophobic objects, 2016., doktorska disertacija, Naturwissenschaftliche Fakultät / Prirodoslovno-matematički fakultet, Erlangen, Njemačka
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38.Application of Computational Methods to the Structural and Functional Properties of Flexible Chiral Molecules, 2016., doktorska disertacija, Naturwissenschaftliche Fakultät / Prirodoslovno-matematički fakultet, Erlangen, Njemačka
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39.Reduction of Ribonucleotide in Prebiotic Conditions // MIPoMat Workshop Innovative Surfaces and Materials 2016, Book of Abstracts
Primošten, Hrvatska, 2016. str. 23-23 (pozvano predavanje, međunarodna recenzija, sažetak, ostalo) -
40.Complementary Molecular Dynamics and X-ray Reflectivity Study of an Imidazolium-Based Ionic Liquid at a Neutral Sapphire Interface // Journal of Physical Chemistry Letters, 6 (2015), 3; 549-555 doi:10.1021/jz5024493 (podatak o recenziji nije dostupan, pismo, ostalo)
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41.A computational study of the chlorination and hydroxylation of amines by hypochlorous acid // Organic & biomolecular chemistry, 13 (2015), 48; 11740-11752 doi:10.1039/C5OB01823D (međunarodna recenzija, članak, znanstveni)
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42.Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context // Chemistry : a European journal, 21 (2015), 16; 6132-6143 doi:10.1002/chem.201405741 (međunarodna recenzija, članak, znanstveni)
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43.Establishing conditions for simulating hydrophobic solutes in electric fields by molecular dynamics // Journal of molecular modeling, 20 (2014), 2359-1 doi:10.1007/s00894-014-2359-5 (međunarodna recenzija, članak, znanstveni)
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44.Rhodomyrtals A–D, four unusual phloroglucinolsesquiterpene adducts from Rhodomyrtus psidioides // RSC Advances, 4 (2014), 26; 13514-13517 doi:10.1039/c4ra00154k (međunarodna recenzija, pismo, znanstveni)
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45.Calculating CD Spectra of Flexible Peptides : An Assessment of TD-DFT Functionals // Journal of chemical theory and computation, 10 (2014), 8; 3270-3279 doi:10.1021/ct500071t (međunarodna recenzija, članak, znanstveni)
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46.Kinetics of H/D Exchange by Mass Spectrometry. I. Analysis of a Single Exchange Profile // MATCH : communications in mathematical and in computer chemistry, 70 (2013), 3; 801-827 (međunarodna recenzija, članak, znanstveni)
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47.Staggered Benzenoid Pairs as Potential Spin Coupling Systems // MATCH : communications in mathematical and in computer chemistry, 69 (2013), 3; 649-676 (međunarodna recenzija, članak, znanstveni)
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48.An Elusive Radical Intermediate in the Coenzyme-B12-Mediated Reactions // From Solid State To BioPhysics VI - 'From Basic To Life Sciences'
Cavtat, Hrvatska, 2012. (plenarno, sažetak, ostalo) -
49.The Elusive 5'-Deoxyadenosyl Radical in Coenzyme-B12-Mediated Reactions // BIT's 3rd Annual World DNA and Genome Day / Mei, Xiaodan (ur.).
Dalian, 2012. str. 50-50 (pozvano predavanje, sažetak, znanstveni) -
50.Sucidal Inactivation of B12-dependent Dehydratases – QM//MM Study // ICPOC 21: Book of Abstracts / Williams, I., Butts, C., Buurma, M., Croft, A. (ur.).
Durham: RSC, IUPAC, 2012. str. B09-B09 (predavanje, međunarodna recenzija, sažetak, znanstveni)
