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Baer, Andreas; Wawra, Simon E.; Bielmeier, Kristina; Uttinger, Maximilian J.; Smith, David Matthew; Peukert, Wolfgang; Walter, Johannes; Smith, Ana‐Sunčana | The Stokes–Einstein–Sutherland Equation at the Nanoscale Revisited // Small, 20 (2023), 6; 2304670, 9. doi: 10.1002/smll.202304670
doionlinelibrary.wiley.comfulir.irb.hr
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Livraghi, Mattia; Pahi, Sampanna; Nowakowski, Piotr; Smith, David Matthew; Wick, Christian R.; Smith, Ana-Sunčana | Block Chemistry for Accurate Modeling of Epoxy Resins // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 127 (2023), 35; 7648-7662. doi: 10.1021/acs.jpcb.3c04724
doipubs.acs.orgfulir.irb.hr
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Höllring, Kevin; Baer, Andreas; Vučemilović-Alagić, Nataša; Smith, David Matthew; Smith, Ana-Sunčana | Anisotropic molecular diffusion in confinement I: Transport of small particles in potential and density gradients // Journal of colloid and interface science, 650 (2023), 1930-1940. doi: 10.1016/j.jcis.2023.07.088
doiwww.sciencedirect.comfulir.irb.hr
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Höllring, Kevin; Baer, Andreas; Vučemilović-Alagić, Nataša; Smith, David M.; Smith, Ana-Sunčana | Anisotropic molecular diffusion in confinement II: A model for structurally complex particles applied to transport in thin ionic liquid films // Journal of colloid and interface science, 657 (2024), 272-289. doi: 10.1016/j.jcis.2023.11.137
doiwww.sciencedirect.comfulir.irb.hr
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Dalsvåg, Hanne ; Cropotova, Janna ; Režek Jambrak, Anet ; Janči, Tibor ; Španěl, Patrik ; Dryahina, Kseniya ; Smith, David ; Rustad, Turid | Mass Spectrometric Quantification of Volatile Compounds Released by Fresh Atlantic Salmon Stored at 4 °C under Modified Atmosphere Packaging and Vacuum Packaging for up to 16 Days // ACS Food Science and Technology, 2 (2021), 3; 400-414. doi: 10.1021/acsfoodscitech.1c00259
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Wolf, Patrick ; Wick, Christian R. ; Mehler, Julian ; Blaumeiser, Dominik ; Schötz, Simon ; Bauer, Tanja ; Libuda, Jörg ; Smith, David ; Smith, Ana-Sunčana ; Haumann, Marco | Improving the Performance of Supported Ionic Liquid Phase Catalysts for the Ultra-Low-Temperature Water Gas Shift Reaction Using Organic Salt Additives // ACS Catalysis, 12 (2022), 9; 5661-5672. doi: 10.1021/acscatal.1c05979
doipubs.acs.orgdoi.org
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Livraghi, Mattia ; Höllring, Kevin ; Wick, Christian R. ; Smith, David M. ; Smith, Ana-Sunčana | An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks // Journal of chemical theory and computation, 17 (2021), 10; 6449-6457. doi: 10.1021/acs.jctc.1c00423
doipuls.physik.fau.depubs.acs.orgpubs.acs.orgdoi.org
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Bilić, Luka ; Barić, Danijela ; Sandala, Gregory M ; Smith, David M. ; Kovačević, Borislav | Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol Dehydratase // Chemistry : a European journal, 27 (2021), 29; 7930-7941. doi: 10.1002/chem.202100416
doichemistry-europe.onlinelibrary.wiley.comdoi.org
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Wolf, Patrick ; Aubermann, Manfred ; Wolf, Moritz ; Bauer, Tanja ; Blaumeiser, Dominik ; Stepic, Robert ; Wick, Christian R. ; Smith, David M. ; Smith, Ana-Suncana ; Wasserscheid, Peter et al. | Improving the performance of supported ionic liquid phase (SILP) catalysts for the ultra-low-temperature water-gas shift reaction using metal salt additives // Green chemistry, 21 (2019), 18; 5008-5018. doi: 10.1039/c9gc02153a
doipubs.rsc.org
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Stepić, Robert ; Jurković, Lara ; Klementyeva, Ksenia ; Ukrainczyk, Marko ; Gredičak, Matija ; Smith, David M. ; Kralj, Damir ; Smith, Ana- Sunčana | Adsorption of Aspartate Derivatives to Calcite Surfaces in Aqueous Environment // Crystal growth & design, 20 (2020), 5; 2853-2859. doi: 10.1021/acs.cgd.0c00061
doipubs.acs.orgdoi.org
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Blaumeiser, Dominik ; Stepić, Robert ; Wolf, Patrick ; Wick, Christian R. ; Haumann, Marco ; Wasserscheid, Peter ; Smith, David M. ; Smith, Ana-Sunčana ; Bauer, Tanja ; Libuda, Jörg | Cu carbonyls enhance the performance of Ru-based SILP water–gas shift catalysts: a combined in situ DRIFTS and DFT study // Catalysis science & technology, 10 (2020), 1; 252-262. doi: 10.1039/c9cy01852b
doipuls.physik.fau.dedoi.orgpubs.rsc.org
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Hanževački, Marko ; Čondić‐Jurkić, Karmen ; Banhatti, Radha Dilip ; Smith, Ana‐Sunčana ; Smith, David M. | The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate‐Lyase // Chemistry : a European journal, 25 (2019), 37; 8741-8753. doi: 10.1002/chem.201900663
doionlinelibrary.wiley.comdoi.orgonlinelibrary.wiley.com
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Hanževački, Marko ; Banhatti, Radha Dilip ; Čondić-Jurkić, Karmen ; Smith, Ana-Sunčana ; Smith, David M. | Exploring reactive conformations of coenzyme a during binding and unbinding to pyruvate formate–lyase // The journal of physical chemistry. A, 123 (2019), 43; 9345-9356. doi: 10.1021/acs.jpca.9b06913
doipubs.acs.org
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Vučemilović-Alagić, Nataša ; Banhatti, Radha D. ; Stepić, Robert ; Wick, Christian R. ; Berger, Mario Gaimann, Daniel ; Bear, Andreas ; Harting, Jens ; Smith, David Matthew ; Smith, Ana-Sunčana | Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment using data from MD simulations // Data in brief, 28 (2020), 104794, 11. doi: 10.1016/j.dib.2019.104794
doiwww.sciencedirect.comdoi.orgfulir.irb.hr
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Babić, Darko ; Kazazić, Saša ; Smith, David Matthew | Resolution of protein hydrogen/deuterium exchange by fitting amide exchange probabilities to the peptide isotopic envelopes // RCM. Rapid communications in mass spectrometry, 33 (2019), 15; 1248-1257. doi: 10.1002/rcm.8460
doianalyticalsciencejournals.onlinelibrary.wiley.com
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Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David M. ; Kovačević, Borislav | Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 123 (2019), 29; 6178-6187. doi: 10.1021/acs.jpcb.9b04071
doidoi.orgpubs.acs.org
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Vučemilović-Alagić, Nataša ; Banhatti, Radha D. ; Stepić, Robert ; Wick, Christian Rainer ; Berger, Daniel ; Gaimann, Mario U. ; Baer, Andreas ; Harting, Jens ; Smith, David Matthew ; Smith, Ana-Sunčana | Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces // Journal of colloid and interface science, 553 (2019), 350-363. doi: 10.1016/j.jcis.2019.06.017
doiwww.sciencedirect.comdoi.org
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Stepić, Robert ; Wick, Christian R. ; Strobel, Vinzent ; Berger, Daniel ; Vučemilović-Alagić, Nataša ; Haumann, Marco ; Wasserscheid, Peter ; Smith, Ana Sunčana ; Smith, David M. | Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study // Angewandte Chemie. International edition, 58 (2019), 3; 741-745. doi: 10.1002/anie.201811627
doipuls.physik.fau.deonlinelibrary.wiley.comdoi.org
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Wetmore, Stacey D. ; Smith, David M. ; Golding, Bernard T. ; Radom, Leo | Interconversion of (S)-glutamate and (2S, 3S)-3-methylaspartate: A distinctive B-12-dependent carbon-skeleton rearrangement // Journal of the American Chemical Society, 123 (2001), 33; 7963-7972. doi: 10.1021/ja004246f
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Wetmore, Stacey D. ; Smith, David M. ; Radom, Leo | How B-6 helps B-12: The roles of B-6, B-12, and the enzymes in aminomutase-catalyzed reactions // Journal of the American Chemical Society, 122 (2000), 41; 10208-10209. doi: 10.1021/ja001651y
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Smith, David M. ; Golding, Bernard T. ; Radom, Leo | Understanding the mechanism of B-12-dependent methylmalonyl-CoA mutase: Partial proton transfer in action // Journal of the American Chemical Society, 121 (1999), 40; 9388-9399. doi: 10.1021/ja991649a
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Smith, David M. ; Golding, Bernard T. ; Radom, Leo | Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept // Journal of the American Chemical Society, 121 (1999), 24; 5700-5704. doi: 10.1021/ja990209g
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Smith, David M. ; Golding, Bernard T. ; Radom, Leo | Facilitation of enzyme-catalyzed reactions by partial proton transfer: Application to coenzyme-B-12-dependent methylmalonyl-CoA mutase // Journal of the American Chemical Society, 121 (1999), 6; 1383-1384. doi: 10.1021/ja983512a
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Smith, David M. ; Golding, Bernard T. ; Radom, Leo | On the mechanism of action of vitamin B-12: Theoretical studies of the 2-methyleneglutarate mutase catalyzed rearrangement // Journal of the American Chemical Society, 121 (1999), 5; 1037-1044. doi: 10.1021/ja9827245
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Smith, David M. ; Nicolaides, Athanassios ; Golding, Bernard T. ; Radom, Leo | Ring opening of the cyclopropylcarbinyl radical and its N- and O-substituted analogues. A theoretical examination of very fast unimolecular reactions // Journal of the American Chemical Society, 120 (1998), 39; 10223-10233. doi: 10.1021/ja980635m
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Mayer, Paul M. ; Parkinson, Christopher J. ; Smith, David M. ; Radom, Leo | An assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: A recommended new procedure // The Journal of chemical physics, 108 (1998), 2; 604-615. doi: 10.1063/1.476256
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Nicolaides, Athanassios ; Smith, David M. ; Jensen, Frank ; Radom, Leo | Phenyl radical, cation, and anion. The triplet- singlet gap and higher excited states of the phenyl cation // Journal of the American Chemical Society, 119 (1997), 34; 8083-8088. doi: 10.1021/ja970808s
doipubs.acs.org
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Fischer, Gad ; Smith, David M. ; Nwankwoala, A.U. | The electronic spectroscopy of 1, 2, 3-triazine // Chemical Physics, 221 (1997), 1-2; 11-21. doi: 10.1016/S0301-0104(97)00159-6
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Fischer, Gad ; Purchase, R.L. ; Smith, D.M. | The ring-puckering motion in perfluorocyclobutane // Journal of molecular structure, 405 (1997), 2-3; 159-167. doi: 10.1016/S0022-2860(96)09590-7
doiwww.sciencedirect.com
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Wetmore, Stacey D. ; Schofield, Robyn ; Smith, David M. ; Radom, Leo | A Theoretical Investigation of the Effects of Electronegative Substitution on the Strength of C−H···N Hydrogen Bonds // The journal of physical chemistry. A, 105 (2001), 38; 8718-8726. doi: 10.1021/jp011087t
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Wetmore, Stacey D. ; Smith, David M. ; Radom, Leo | Catalysis by Mutants of Methylmalonyl-CoA Mutase: A Theoretical Rationalization for a Change in the Rate-Determining Step // ChemBioChem : a European journal of chemical biology, 2 (2001), 12; 919-922. doi: 10.1002/1439-7633(20011203)2:12<919::aid-cbic919>3.0.co;2-6
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So/lling, Theis I. ; Smith, David M. ; Radom, Leo ; Freitag, Mark A. ; Gordon, Mark S. | Towards multireference equivalents of the G2 and G3 methods // The Journal of chemical physics, 115 (2001), 19; 8758-8772. doi: 10.1063/1.1411998
doi
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Baer, Andreas ; Miličević, Zoran ; Smith, David M. ; Smith, Ana-Sunčana | Water in an electric field does not dance alone: The relation between equilibrium structure, time dependent viscosity and molecular motions // Journal of molecular liquids, 282 (2019), 303-315. doi: 10.1016/j.molliq.2019.02.055
doiwww.sciencedirect.comdoi.org
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Wick, Christian R. ; Smith, David M. | Modeling the Reactions Catalyzed by Coenzyme B12 Dependent Enzymes: Accuracy and Cost- Quality Balance // The journal of physical chemistry. A, 122 (2018), 6; 1747-1755. doi: 10.1021/acs.jpca.7b11798
doipubs.acs.org
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Kovačević, Borislav ; Barić, Danijela ; Babić, Darko ; Bilić, Luka ; Hanževački, Marko ; Sandala, Gregory M. ; Radom, Leo ; Smith, David M. | Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12 // Journal of the American Chemical Society, 140 (2018), 27; 8487-8496. doi: 10.1021/jacs.8b03109
doipubs.acs.org
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Bauer, Tanja ; Stepić, Robert ; Wolf, Patrick , Kollhoff, Fabian ; Karawacka, Weronika ; Wick, Christian Rainer ; Haumann, Marco ; Wasserscheid Peter ; Smith, David Matthew ; Smith, Ana-Sunčana ; Libuda, Jörg | 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
doifulir.irb.hrpubs.rsc.org
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Babić, Darko ; Smith, David M. | Localization improvement of deuterium uptake in hydrogen/deuterium exchange in proteins // Journal of chemometrics, 31 (2017), 3; e2876-1-e2876-9. doi: 10.1002/cem.2876
doionlinelibrary.wiley.com
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Miličević, Zoran ; Marrink, Siewert J. ; Smith, Ana-Sunčana ; Smith, David Matthew | Establishing conditions for simulating hydrophobic solutes in electric fields by molecular dynamics // Journal of molecular modeling, 20 (2014), 2359-1-2359-. doi: 10.1007/s00894-014-2359-5
doilink.springer.com
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Šakić, Davor ; Hanževački, Marko ; Smith, David Matthew ; Vrček, Valerije | 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
doiwww.rsc.orgpubs.rsc.org
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Brkljača, Zlatko ; Mališ, Momir ; Smith, David Matthew ; Smith, Ana-Sunčana | 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
doipubs.acs.org
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Dragičević, Ivan ; Barić, Danijela ; Kovačević, Borislav ; Golding, Bernard T. ; Smith, David Matthew | Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context // Chemistry : a European journal, 21 (2015), 16; 6132-6143. doi: 10.1002/chem.201405741
doionlinelibrary.wiley.com
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Babić, Darko ; Kazazić, Saša ; Smith, David Matthew | 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
match.pmf.kg.ac.rsmatch.pmf.kg.ac.rs
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Babić, Darko ; Klein, Douglas J. ; Smith, David Matthew | Staggered Benzenoid Pairs as Potential Spin Coupling Systems // MATCH : communications in mathematical and in computer chemistry, 69 (2013), 3; 649-676
match.pmf.kg.ac.rsfulir.irb.hr
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Brkljača, Zlatko ; Čondić-Jurkić, Karmen ; Smith, Ana-Sunčana ; Smith, David M. | Calculation of the CD spectrum of a peptide from its conformational phase space: The case of Met-enkephalin and its unnatural analogue // Journal of chemical theory and computation, 8 (2012), 5; 1694-1705. doi: 10.1021/ct200868y
doipubs.acs.org
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Bucher, Denis ; Sandala, Gregory M. ; Durbeej, Bo ; Radom, Leo ; Smith, David Matthew | The Elusive 5'-Deoxyadenosyl Radical in Coenzyme-B12-Mediated Reactions // Journal of the American Chemical Society, 134 (2012), 3; 1591-1599. doi: 10.1021/ja207809b
doipubs.acs.orgpubs.acs.org
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Čondić-Jurkić, Karmen ; Smith, Ana-Sunčana ; Zipse, Hendrik ; Smith, David M. | The Protonation States of the Active-Site Histidines in (6-4) Photolyase // Journal of chemical theory and computation, 8 (2012), 3; 1078-1091. doi: 10.1021/ct2005648
doipubs.acs.org
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Tomić, Antonija ; Abramić, Marija ; Špoljarić, Jasminka ; Agić, Dejan ; Smith, David M. ; Tomić, Sanja | Human Dipeptidyl Peptidase III: Insights into Ligand Binding from a Combined Experimental and Computational Approach // Journal of molecular recognition, 24 (2011), 5; 804-814. doi: 10.1002/jmr.1115
doionlinelibrary.wiley.com
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Babić, Darko ; Ćurić, Manda ; Smith, David Matthew | Computational study of the cyclopalladation mechanism of azobenzene with PdCl2 in N, N-dimethylformamide // Journal of organometallic chemistry, 696 (2011), 3; 661-669. doi: 10.1016/j.jorganchem.2010.09.038
doiwww.sciencedirect.com
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Sandala, Gregory M. ; Smith, David M. ; Radom, Leo | Modeling the Reactions Catalyzed by Coenzyme B12 Dependent Enzymes // Accounts of chemical research, 43 (2010), 5; 642-651. doi: 10.1021/ar900260c
doipubs.acs.org
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Parthasarathy, Anutthaman ; Buckel, Wolfgang ; Smith, David M. | On the thermodynamic equilibrium between (R)-2-hydroxyacyl-CoA and 2-enoyl-CoA // The FEBS journal, 277 (2010), 7; 1738-1746. doi: 10.1111/j.1742-4658.2010.07597.x
doifebs.onlinelibrary.wiley.comdoi.org
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Durbeej, Bo ; Sandala, Gregory M. ; Bucher, Denis ; Smith, David M. ; Radom, Leo | On the Importance of Ribose Orientation in the Substrate Activation of the Coenzyme B12-Dependent Mutases // Chemistry : a European journal, 15 (2009), 34; 8578-8585. doi: 10.1002/chem.200901002
doionlinelibrary.wiley.comdoi.org
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Čondić-Jurkić, Karmen ; Zipse, Hendrik ; Smith, David Matthew | A Compound QM/MM Procedure: Comparative Performance on a Pyruvate Formate-Lyase Model System // Journal of computational chemistry, 31 (2010), 5; 1024-1035. doi: 10.1002/jcc.21389
doionlinelibrary.wiley.comdoi.org
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Sandala, Gregory M. ; Kovačević, Borislav ; Barić, Danijela ; Smith, David M. ; Radom, Leo | On the Reaction of Glycerol Dehydratase with But-3-ene-1, 2-diol // Chemistry : a European journal, 15 (2009), 19; 4865-4873. doi: 10.1002/chem.200802640
doionlinelibrary.wiley.comdoi.org
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Sandala, Gregory M. ; Smith, David ; Radom, Leo | The Carbon-Skeleton Rearrangement in Tropane Alkaloid Biosynthesis // Journal of the American Chemical Society, 130 (2008), 32; 10684-10690. doi: 10.1021/ja801869a
doi
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Wood, Geoffrey P. F. ; Gordon, Mark S. ; Radom, Leo ; Smith, David M. | The Nature of Glycine and its alpha-Carbon Radical in Aqueous Solution: A Theoretical Investigation // Journal of chemical theory and computation, 4 (2008), 10; 1788-1794. doi: 10.1021/ct8002942
doipubs.acs.orgdoi.org
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Čondić-Jurkić, Karmen ; Perchyonok, V. Tamara ; Zipse, Hendrik ; Smith, David M. | On the modeling of arginine-bound carboxylates: A case study with Pyruvate Formate-Lyase // Journal of computational chemistry, 29 (2008), 14; 2425-2433. doi: 10.1002/jcc.20984
doionlinelibrary.wiley.comdoi.org
Kouskoulli, M. A. ; Smith, David M. ; Nicolaides, A. V. | Estimating the pi-bond energies and the stabilities of oxy-substituted carbocations // Journal of molecular structure. Theochem, 811 (2007), 1-3; 355-359-x
Sandala, Gregory M. ; Smith, David M. ; Marsh E. Neil G. ; Radom, Leo | Toward an Improved Understanding of the Glutamate Mutase System // Journal of the American Chemical Society, 129 (2007), 6; 1623-1633-x
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Wetmore, Stacey D. ; Smith, David Matthew ; Bennett, Justine T. ; Radom, Leo | Understanding the Mechanism of Action of B12-Dependent Ethanolamine Ammonia-Lyase: Synergistic Interactions at Play // Journal of the American Chemical Society, 124 (2002), 47; 14054-14065. doi: 10.1021/ja027579g
doipubs.acs.org
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Smith, David Matthew ; Buckel, Wolfgang ; Zipse, Hendrik | Deprotonation of Enoxy Radicals: Theoretical Validation of a 50-Year-Old Mechanistic Proposal // Angewandte Chemie. International edition, 42 (2003), 16; 1867-1870. doi: 10.1002/anie.200250502
doionlinelibrary.wiley.com
Sandala, Gregory M. ; Smith, David M. ; Radom, Leo | In Search of Radical Intermediates in the Reactions Catalyzed by Lysine 2, 3-Aminomutase and Lysine 5, 6-Aminomutase // Journal of the American Chemical Society, 128 (2006), 16004-16005-x
Sandala, Greg M. ; Smith, David M. ; Coote, Michelle L. ; Golding, Bernard T. Radom, Leo. | Insight into the Hydrogen Abstraction Reactions of Diol Dehydratase: Relevance to the Catalytic Mechanism and Suicide Inactivation. // Journal of the American Chemical Society, 128 (2006), 3433-3444-x
Miller, Daniel J. ; Smith, David M. ; Chan, Bun C. ; Radom, Leo | Transfer hydrogenation between ethane and ethene: a critical assessment of theoretical procedures // Molecular physics, 104 (2006), 777-794-x
Sandala, Greg M. ; Smith, David M. ; Coote, Michelle L. ; Radom, Leo | Suicide inactivation of dioldehydratase by glycolaldehyde and chloroacetaldehyde: an examination of the reaction mechanism // Journal of the American Chemical Society, 126 (2004), 12206-12207-x
Topf, Maya ; Sandala, Greg M. ; Smith, David M. ; Schofield, Christopher J. ; Easton, Chris J. ; Radom, Leo | The unusual bifunctional catalysis of epimerization and desaturation by carbapenem synthase // Journal of the American Chemical Society, 126 (2004), 9932-9933-x
Sandala, Greg M. ; Smith, David M. ; Radom, Leo | Divergent mechanisms of suicide inactivation for ethanolamine ammonia-lyase // Journal of the American Chemical Society, 127 (2005), 8856-8864-x
Despotović, Ines ; Eckert-Maksić, Mirjana ; Maksić, Zvonimir B. ; Smith, David M. | In Pursuit of the Elusive Bond-stretch Isomers by Ab Initio Methods - Benzocyclobutadiene, Benzo[1, 2:4, 5]dicyclobutadiene and Some Related Substituted Systems // The journal of physical chemistry. A, 107 (2003), 48; 10396-10405-x
Smith, David M. ; Maksić, Zvonimir B. ; Maskill, Howard | Designing Aryl Cations for Direct Observation in Solution : Ab Initio MO Calculations of UV Spectra // Journal of the Chemical Society. Perkin Transactions 2 (2001), 5 (2002), 906-913
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Smith, David M. ; Barić, Danijela ; Maksić, Zvonimir B. | On The Corellation Energy Features in Planar Heteroatomic Molecular Systems // The Journal of chemical physics, 115 (2001), 8; 3474-3483
web.ebscohost.com
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Maksić, Zvonimir B. ; Smith, David M. ; Barić, Danijela | The Additivity of the pi-Electron Correlation Energy in Planar Heteroatomic Molecules // Chemical physics letters, 269 (2001), 1/3; 11-28. doi: 10.1016/S0301-0104(01)00367-6
doi