| Year |
Citation |
Score |
| 2023 |
Singh A, Mason TG, Lu Z, Hill AJ, Pas SJ, Teo BM, Freeman BD, Izgorodina EI. Structural elucidation of polydopamine facilitated by ionic liquid solvation. Physical Chemistry Chemical Physics : Pccp. PMID 36806848 DOI: 10.1039/d2cp05439f |
0.416 |
|
| 2023 |
Low K, Coote ML, Izgorodina EI. Accurate Prediction of Three-Body Intermolecular Interactions via Electron Deformation Density-Based Machine Learning. Journal of Chemical Theory and Computation. 19: 1466-1475. PMID 36787280 DOI: 10.1021/acs.jctc.2c00984 |
0.498 |
|
| 2022 |
Low K, Coote ML, Izgorodina EI. Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition. Journal of Chemical Information and Modeling. PMID 36317829 DOI: 10.1021/acs.jcim.2c01013 |
0.505 |
|
| 2022 |
Low K, Coote ML, Izgorodina EI. Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data. Journal of Chemical Theory and Computation. 18: 1607-1618. PMID 35175045 DOI: 10.1021/acs.jctc.1c01264 |
0.49 |
|
| 2021 |
Seeger ZL, Izgorodina EI. A DLPNO-CCSD(T) benchmarking study of intermolecular interactions of ionic liquids. Journal of Computational Chemistry. PMID 34687062 DOI: 10.1002/jcc.26776 |
0.301 |
|
| 2021 |
Belotti M, Lyu X, Xu L, Halat P, Darwish N, Silvester DS, Goh C, Izgorodina EI, Coote ML, Ciampi S. Experimental Evidence of Long-Lived Electric Fields of Ionic Liquid Bilayers. Journal of the American Chemical Society. PMID 34657417 DOI: 10.1021/jacs.1c06385 |
0.672 |
|
| 2020 |
Low K, Kobayashi R, Izgorodina EI. The effect of descriptor choice in machine learning models for ionic liquid melting point prediction. The Journal of Chemical Physics. 153: 104101. PMID 32933305 DOI: 10.1063/5.0016289 |
0.313 |
|
| 2020 |
Xu L, Izgorodina EI, Coote ML. Ordered Solvents and Ionic Liquids Can be Harnessed for Electrostatic Catalysis. Journal of the American Chemical Society. PMID 32610899 DOI: 10.1021/Jacs.0C05643 |
0.676 |
|
| 2018 |
Wylie L, Seeger ZL, Hancock AN, Izgorodina EI. Increased stability of nitroxide radicals in ionic liquids: more than a viscosity effect. Physical Chemistry Chemical Physics : Pccp. PMID 30334552 DOI: 10.1039/c8cp04854a |
0.323 |
|
| 2018 |
Seeger ZL, Kobayashi R, Izgorodina EI. Cluster approach to the prediction of thermodynamic and transport properties of ionic liquids. The Journal of Chemical Physics. 148: 193832. PMID 30307174 DOI: 10.1063/1.5009791 |
0.308 |
|
| 2016 |
Tan SY, Izgorodina EI. Comparison of the Effective Fragment Potential Method with Symmetry-Adapted Perturbation Theory in the Calculation of the Intermolecular Energies for Ionic Liquids. Journal of Chemical Theory and Computation. PMID 27116302 DOI: 10.1021/acs.jctc.6b00141 |
0.347 |
|
| 2015 |
Simons TJ, Verheyen T, Izgorodina EI, Vijayaraghavan R, Young S, Pearson AK, Pas SJ, MacFarlane DR. Mechanisms of low temperature capture and regeneration of CO2 using diamino protic ionic liquids. Physical Chemistry Chemical Physics : Pccp. PMID 26660453 DOI: 10.1039/C5Cp05200A |
0.385 |
|
| 2015 |
Rigby J, Barrera Acevedo S, Izgorodina EI. Novel SCS-IL-MP2 and SOS-IL-MP2 Methods for Accurate Energetics of Large-Scale Ionic Liquid Clusters. Journal of Chemical Theory and Computation. 11: 3610-6. PMID 26574444 DOI: 10.1021/Acs.Jctc.5B00551 |
0.769 |
|
| 2015 |
Izgorodina EI, Hodgson JL, Weis DC, Pas SJ, MacFarlane DR. Physical Absorption Of CO2 in Protic and Aprotic Ionic Liquids: An Interaction Perspective. The Journal of Physical Chemistry. B. 119: 11748-59. PMID 26267781 DOI: 10.1021/Acs.Jpcb.5B05115 |
0.689 |
|
| 2014 |
Rigby J, Izgorodina EI. New SCS- and SOS-MP2 Coefficients Fitted to Semi-Coulombic Systems. Journal of Chemical Theory and Computation. 10: 3111-22. PMID 26588282 DOI: 10.1021/Ct500309X |
0.763 |
|
| 2014 |
Izgorodina EI, Golze D, Maganti R, Armel V, Taige M, Schubert TJ, MacFarlane DR. Importance of dispersion forces for prediction of thermodynamic and transport properties of some common ionic liquids. Physical Chemistry Chemical Physics : Pccp. 16: 7209-21. PMID 24113510 DOI: 10.1039/C3Cp53035C |
0.514 |
|
| 2014 |
Chesman ASR, Hodgson JL, Izgorodina EI, Urbatsch A, Turner DR, Deacon GB, Batten SR. Anion-anion interactions in the crystal packing of functionalized methanide anions: An experimental and computational study Crystal Growth and Design. 14: 1922-1932. DOI: 10.1021/Cg500051M |
0.568 |
|
| 2013 |
Vijayraghavan R, Pas SJ, Izgorodina EI, MacFarlane DR. Diamino protic ionic liquids for CO2 capture. Physical Chemistry Chemical Physics : Pccp. 15: 19994-9. PMID 24162803 DOI: 10.1039/C3Cp54082K |
0.381 |
|
| 2013 |
Zahn S, MacFarlane DR, Izgorodina EI. Assessment of Kohn-Sham density functional theory and Møller-Plesset perturbation theory for ionic liquids. Physical Chemistry Chemical Physics : Pccp. 15: 13664-75. PMID 23838824 DOI: 10.1039/C3Cp51682B |
0.489 |
|
| 2013 |
Chen S, Vijayaraghavan R, MacFarlane DR, Izgorodina EI. Ab initio prediction of proton NMR chemical shifts in imidazolium ionic liquids. The Journal of Physical Chemistry. B. 117: 3186-97. PMID 23432338 DOI: 10.1021/Jp310267X |
0.476 |
|
| 2013 |
Rigby J, Izgorodina EI. Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquids. Physical Chemistry Chemical Physics : Pccp. 15: 1632-46. PMID 23247883 DOI: 10.1039/C2Cp42934A |
0.748 |
|
| 2012 |
Frayret C, Izgorodina EI, MacFarlane DR, Villesuzanne A, Barrès AL, Politano O, Rebeix D, Poizot P. Electrochemical properties of crystallized dilithium squarate: insight from dispersion-corrected density functional theory. Physical Chemistry Chemical Physics : Pccp. 14: 11398-412. PMID 22801734 DOI: 10.1039/C2Cp41195D |
0.423 |
|
| 2012 |
Stoimenovski J, Dean PM, Izgorodina EI, MacFarlane DR. Protic pharmaceutical ionic liquids and solids: aspects of protonics. Faraday Discussions. 154: 335-52; discussion 4. PMID 22455028 DOI: 10.1039/C1Fd00071C |
0.433 |
|
| 2012 |
Izgorodina EI, Rigby J, MacFarlane DR. Large-scale ab initio calculations of archetypical ionic liquids. Chemical Communications (Cambridge, England). 48: 1493-5. PMID 22006049 DOI: 10.1039/C1Cc15056A |
0.76 |
|
| 2012 |
Izgorodin A, Izgorodina E, MacFarlane DR. Low overpotential water oxidation to hydrogen peroxide on a MnO x catalyst Energy and Environmental Science. 5: 9496-9501. DOI: 10.1039/C2Ee21832A |
0.438 |
|
| 2011 |
Izgorodina EI, Maganti R, Armel V, Dean PM, Pringle JM, Seddon KR, MacFarlane DR. Understanding the effect of the C2 proton in promoting low viscosities and high conductivities in imidazolium-based ionic liquids: part I. Weakly coordinating anions. The Journal of Physical Chemistry. B. 115: 14688-97. PMID 22023104 DOI: 10.1021/Jp208573Y |
0.461 |
|
| 2011 |
Izgorodina EI, MacFarlane DR. Nature of hydrogen bonding in charged hydrogen-bonded complexes and imidazolium-based ionic liquids. The Journal of Physical Chemistry. B. 115: 14659-67. PMID 22011264 DOI: 10.1021/Jp208150B |
0.446 |
|
| 2010 |
Stoimenovski J, Izgorodina EI, MacFarlane DR. Ionicity and proton transfer in protic ionic liquids. Physical Chemistry Chemical Physics : Pccp. 12: 10341-7. PMID 20601995 DOI: 10.1039/C0Cp00239A |
0.441 |
|
| 2010 |
Lin CY, Izgorodina EI, Coote ML. First Principles Prediction of The Propagation Rate Coefficients of Acrylic and Vinyl Esters: Are We There Yet? Macromolecules. 43: 553-560. DOI: 10.1021/Ma902049G |
0.658 |
|
| 2010 |
Bernard UL, Izgorodina EI, MacFarlane DR. New insights into the relationship between Ion-Pair binding energy and thermodynamic and transport properties of ionic liquids Journal of Physical Chemistry C. 114: 20472-20478. DOI: 10.1021/Jp1048875 |
0.434 |
|
| 2009 |
MacFarlane DR, Forsyth M, Izgorodina EI, Abbott AP, Annat G, Fraser K. On the concept of ionicity in ionic liquids. Physical Chemistry Chemical Physics : Pccp. 11: 4962-7. PMID 19562126 DOI: 10.1039/B900201D |
0.558 |
|
| 2009 |
Izgorodina EI, Bernard UL, MacFarlane DR. Ion-pair binding energies of ionic liquids: can DFT compete with ab initio-based methods? The Journal of Physical Chemistry. A. 113: 7064-72. PMID 19462960 DOI: 10.1021/Jp8107649 |
0.501 |
|
| 2009 |
Izgorodina EI, Forsyth M, Macfarlane DR. On the components of the dielectric constants of ionic liquids: ionic polarization? Physical Chemistry Chemical Physics : Pccp. 11: 2452-8. PMID 19325978 DOI: 10.1039/B815835E |
0.584 |
|
| 2009 |
Brittain DR, Lin CY, Gilbert AT, Izgorodina EI, Gill PM, Coote ML. The role of exchange in systematic DFT errors for some organic reactions. Physical Chemistry Chemical Physics : Pccp. 11: 1138-42. PMID 19209354 DOI: 10.1039/B818412G |
0.744 |
|
| 2009 |
Rocher NM, Izgorodina EI, Rüther T, Forsyth M, Macfarlane DR, Rodopoulos T, Horne MD, Bond AM. Aluminium speciation in 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide/AlCl3 mixtures. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 3435-47. PMID 19132700 DOI: 10.1002/Chem.200801641 |
0.524 |
|
| 2009 |
Izgorodina EI, Bernard UL, Dean PM, Pringle JM, MacFarlane DR. The madelung constant of organic salts Crystal Growth and Design. 9: 4834-4839. DOI: 10.1021/Cg900656Z |
0.436 |
|
| 2008 |
Byrne R, Fraser KJ, Izgorodina E, MacFarlane DR, Forsyth M, Diamond D. Photo- and solvatochromic properties of nitrobenzospiropyran in ionic liquids containing the [NTf2]- anion. Physical Chemistry Chemical Physics : Pccp. 10: 5919-24. PMID 18818846 DOI: 10.1039/B806641H |
0.635 |
|
| 2008 |
Johansson KM, Izgorodina EI, Forsyth M, MacFarlane DR, Seddon KR. Protic ionic liquids based on the dimeric and oligomeric anions: [(AcO)xH(x-1)]-. Physical Chemistry Chemical Physics : Pccp. 10: 2972-8. PMID 18473045 DOI: 10.1039/B801405A |
0.597 |
|
| 2008 |
Lin CY, Izgorodina EI, Coote ML. How Accurate Are Approximate Methods for Evaluating Partition Functions for Hindered Internal Rotations? The Journal of Physical Chemistry. A. 112: 1956-1964. PMID 18260658 DOI: 10.1021/Jp710341H |
0.636 |
|
| 2007 |
Fraser KJ, Izgorodina EI, Forsyth M, Scott JL, MacFarlane DR. Liquids intermediate between "molecular" and "ionic" liquids: liquid ion pairs? Chemical Communications (Cambridge, England). 3817-9. PMID 18217657 DOI: 10.1039/B710014K |
0.607 |
|
| 2007 |
MacFarlane DR, Forsyth M, Howlett PC, Pringle JM, Sun J, Annat G, Neil W, Izgorodina EI. Ionic liquids in electrochemical devices and processes: managing interfacial electrochemistry. Accounts of Chemical Research. 40: 1165-73. PMID 17941700 DOI: 10.1021/Ar7000952 |
0.577 |
|
| 2007 |
Izgorodina EI, Brittain DR, Hodgson JL, Krenske EH, Lin CY, Namazian M, Coote ML. Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions? The Journal of Physical Chemistry. A. 111: 10754-68. PMID 17887739 DOI: 10.1021/Jp075837W |
0.695 |
|
| 2007 |
Izgorodina EI, Lin CY, Coote ML. Energy-directed tree search: an efficient systematic algorithm for finding the lowest energy conformation of molecules. Physical Chemistry Chemical Physics : Pccp. 9: 2507-16. PMID 17508083 DOI: 10.1039/B700938K |
0.63 |
|
| 2007 |
Izgorodina EI, Forsyth M, MacFarlane DR. Towards a Better Understanding of 'Delocalized Charge' in Ionic Liquid Anions Australian Journal of Chemistry. 60: 15. DOI: 10.1071/Ch06304 |
0.61 |
|
| 2006 |
Chaffey-Millar H, Izgorodina EI, Barner-Kowollik C, Coote ML. Radical Addition to Thioketones: Computer-Aided Design of Spin Traps for Controlling Free-Radical Polymerization. Journal of Chemical Theory and Computation. 2: 1632-45. PMID 26627034 DOI: 10.1021/Ct600128T |
0.504 |
|
| 2006 |
Izgorodina EI, Coote ML. Reliable low-cost theoretical procedures for studying addition-fragmentation in RAFT polymerization. The Journal of Physical Chemistry. A. 110: 2486-92. PMID 16480308 DOI: 10.1021/Jp055158Q |
0.487 |
|
| 2006 |
Toy AA, Chaffey-Millar H, Davis TP, Stenzel MH, Izgorodina EI, Coote ML, Barner-Kowollik C. Thioketone spin traps as mediating agents for free radical polymerization processes. Chemical Communications (Cambridge, England). 835-7. PMID 16479283 DOI: 10.1039/B515561D |
0.508 |
|
| 2006 |
Howlett PC, Izgorodina EI, Forsyth M, MacFarlane DR. Electrochemistry at negative potentials in bis(trifluoromethanesulfonyl) amide ionic liquids Zeitschrift Fur Physikalische Chemie. 220: 1483-1498. DOI: 10.1524/Zpch.2006.220.10.1483 |
0.604 |
|
| 2006 |
Coote ML, Izgorodina EI, Cavigliasso GE, Roth M, Busch M, Barner-Kowollik C. Addition-Fragmentation Kinetics of Fluorodithioformates (F-RAFT) in Styrene, Vinyl Acetate, and Ethylene Polymerization: An Ab Initio Investigation Macromolecules. 39: 4585-4591. DOI: 10.1021/Ma060470Z |
0.493 |
|
| 2006 |
Izgorodina EI, Coote ML. Accurate ab initio prediction of propagation rate coefficients in free-radical polymerization: Acrylonitrile and vinyl chloride Chemical Physics. 324: 96-110. DOI: 10.1016/J.Chemphys.2005.09.042 |
0.522 |
|
| 2006 |
Izgorodina EI, Coote ML. Cover Picture: Macromol. Theory Simul. 5/2006 Macromolecular Theory and Simulations. 15: 373-373. DOI: 10.1002/Mats.200690008 |
0.393 |
|
| 2006 |
Izgorodina EI, Coote ML. Is the Addition-Fragmentation Step of the RAFT Polymerisation Process Chain Length Dependent? Macromolecular Theory and Simulations. 15: 394-403. DOI: 10.1002/Mats.200600021 |
0.452 |
|
| 2006 |
Coote ML, Izgorodina EI, Krenske EH, Busch M, Barner-Kowollik C. Quantum Chemical Mapping of Initialization Processes in RAFT Polymerization Macromolecular Rapid Communications. 27: 1015-1022. DOI: 10.1002/Marc.200600170 |
0.667 |
|
| 2006 |
Coote ML, Krenske EH, Izgorodina EI. Computational Studies of RAFT Polymerization–Mechanistic Insights and Practical Applications Macromolecular Rapid Communications. 27: 473-497. DOI: 10.1002/Marc.200500832 |
0.646 |
|
| 2005 |
Izgorodina EI, Coote ML, Radom L. Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory. The Journal of Physical Chemistry. A. 109: 7558-66. PMID 16834125 DOI: 10.1021/Jp052021R |
0.591 |
|
| 2004 |
Grimme S, Izgorodina EI. Calculation of 0–0 excitation energies of organic molecules by CIS(D) quantum chemical methods Chemical Physics. 305: 223-230. DOI: 10.1016/J.Chemphys.2004.06.050 |
0.381 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2017 |
Chen S, Izgorodina EI. Prediction of (1)H NMR chemical shifts for clusters of imidazolium-based ionic liquids. Physical Chemistry Chemical Physics : Pccp. PMID 28650016 DOI: 10.1039/c7cp02951a |
0.291 |
|
| 2017 |
Chen S, Ishii J, Horiuchi S, Yoshizawa-Fujita M, Izgorodina EI. Difference in chemical bonding between lithium and sodium salts: influence of covalency on their solubility. Physical Chemistry Chemical Physics : Pccp. PMID 28650020 DOI: 10.1039/c7cp03009f |
0.289 |
|
| 2021 |
Wylie L, Hakatayama-Sato K, Go C, Oyaizu K, Izgorodina EI. Electrochemical characterization and thermodynamic analysis of TEMPO derivatives in ionic liquids. Physical Chemistry Chemical Physics : Pccp. PMID 33481976 DOI: 10.1039/d0cp05350c |
0.286 |
|
| 2011 |
Izgorodina EI. Towards large-scale, fully ab initio calculations of ionic liquids. Physical Chemistry Chemical Physics : Pccp. 13: 4189-207. PMID 21283896 DOI: 10.1039/c0cp02315a |
0.285 |
|
| 2018 |
Low K, Wylie L, Scarborough DLA, Izgorodina EI. Is it possible to control kinetic rates of radical polymerisation in ionic liquids? Chemical Communications (Cambridge, England). PMID 30159564 DOI: 10.1039/c8cc02012d |
0.28 |
|
| 2017 |
Tan S, Barrera Acevedo S, Izgorodina EI. Generalized spin-ratio scaled MP2 method for accurate prediction of intermolecular interactions for neutral and ionic species. The Journal of Chemical Physics. 146: 064108. PMID 28201921 DOI: 10.1063/1.4975326 |
0.277 |
|
| 2020 |
Mason TG, Seeger ZL, Nguyen ALP, Fujita K, Izgorodina EI. Predicting Entropic Effects of Water Mixing with Ionic Liquids Containing Anions of Strong Hydrogen Bonding Ability: Role of the Cation. The Journal of Physical Chemistry. B. PMID 33007160 DOI: 10.1021/acs.jpcb.0c07732 |
0.268 |
|
| 2021 |
Kim M, Gould T, Izgorodina EI, Rocca D, Lebègue S. Establishing the accuracy of density functional approaches for the description of noncovalent interactions in ionic liquids. Physical Chemistry Chemical Physics : Pccp. PMID 34782901 DOI: 10.1039/d1cp03888e |
0.265 |
|
| 2018 |
Kochan K, Peng H, Gwee ESH, Izgorodina E, Haritos V, Wood BR. Raman spectroscopy as a tool for tracking cyclopropane fatty acids in genetically engineered Saccharomyces cerevisiae. The Analyst. PMID 30207333 DOI: 10.1039/C8An01477A |
0.258 |
|
| 2013 |
Bonnard G, Barrès AL, Danten Y, Allis DG, Mentré O, Tomerini D, Gatti C, Izgorodina EI, Poizot P, Frayret C. Experimental and theoretical studies of tetramethoxy-p-benzoquinone: Infrared spectra, structural and lithium insertion properties Rsc Advances. 3: 19081-19096. DOI: 10.1039/C3Ra41974F |
0.257 |
|
| 2020 |
Seeger ZL, Izgorodina EI. A Systematic Study of DFT Performance for Geometry Optimizations of Ionic Liquid Clusters. Journal of Chemical Theory and Computation. PMID 32865998 DOI: 10.1021/acs.jctc.0c00549 |
0.251 |
|
| 2008 |
Deacon GB, Forsyth CM, Junk PC, Ness TJ, Izgorodina E, Baldamus J, Meyer G, Pantenburg I, Hitzbleck J, Ruhlandt-Senge K. The supramolecular architecture of arene complexes of bis(polyfluorophenyl) -mercurials European Journal of Inorganic Chemistry. 4770-4780. DOI: 10.1002/Ejic.200800615 |
0.246 |
|
| 2019 |
Low K, Tan SYS, Izgorodina EI. An Study of the Structure and Energetics of Hydrogen Bonding in Ionic Liquids. Frontiers in Chemistry. 7: 208. PMID 31024894 DOI: 10.3389/fchem.2019.00208 |
0.242 |
|
| 2017 |
Izgorodina EI, Seeger ZL, Scarborough DL, Tan SY. Quantum Chemical Methods for the Prediction of Energetic, Physical, and Spectroscopic Properties of Ionic Liquids. Chemical Reviews. PMID 28139908 DOI: 10.1021/acs.chemrev.6b00528 |
0.239 |
|
| 2017 |
Halat P, Seeger ZL, Barrera Acevedo S, Izgorodina EI. Trends in Two- and Three-Body Effects in Multiscale Clusters of Ionic Liquids. The Journal of Physical Chemistry. B. 121: 577-588. PMID 27991797 DOI: 10.1021/acs.jpcb.6b10101 |
0.236 |
|
| 2010 |
Izgorodina EI, Chesman AS, Turner DR, Deacon GB, Batten SR. Theoretical and experimental insights into the mechanism of the nucleophilic addition of water and methanol to dicyanonitrosomethanide. The Journal of Physical Chemistry. B. 114: 16517-27. PMID 21086972 DOI: 10.1021/Jp108550Z |
0.232 |
|
| 2023 |
Hashim FH, Yu F, Izgorodina EI. Appropriate clusterset selection for the prediction of thermodynamic properties of liquid water with QCE theory. Physical Chemistry Chemical Physics : Pccp. PMID 36945858 DOI: 10.1039/d2cp03712b |
0.228 |
|
| 2019 |
Wylie L, Oyaizu K, Karton A, Yoshizawa-Fujita M, Izgorodina EI. Toward Improved Performance of All-Organic Nitroxide Radical Batteries with Ionic Liquids: A Theoretical Perspective Acs Sustainable Chemistry & Engineering. 7: 5367-5375. DOI: 10.1021/acssuschemeng.8b06393 |
0.22 |
|
| 2017 |
Tan SYS, Wylie L, Begic I, Tran D, Izgorodina EI. Application of spin-ratio scaled MP2 for the prediction of intermolecular interactions in chemical systems. Physical Chemistry Chemical Physics : Pccp. PMID 29058005 DOI: 10.1039/c7cp04391k |
0.219 |
|
| 2020 |
Nguyen ALP, Mason TG, Freeman BD, Izgorodina EI. Prediction of lattice energy of benzene crystals: A robust theoretical approach. Journal of Computational Chemistry. PMID 33231872 DOI: 10.1002/jcc.26452 |
0.218 |
|
| 2007 |
Chesman AS, Turner DR, Izgorodina EI, Batten SR, Deacon GB. Homoleptic 12-coordinate lanthanoids with eta(2)-nitroso ligands. Dalton Transactions (Cambridge, England : 2003). 1371-3. PMID 17387395 DOI: 10.1039/B702473H |
0.215 |
|
| 2023 |
Galvez Vallejo JL, Snowdon C, Stocks R, Kazemian F, Yan Yu FC, Seidl C, Seeger Z, Alkan M, Poole D, Westheimer BM, Basha M, De La Pierre M, Rendell A, Izgorodina EI, Gordon MS, et al. Toward an extreme-scale electronic structure system. The Journal of Chemical Physics. 159. PMID 37497819 DOI: 10.1063/5.0156399 |
0.2 |
|
| 2022 |
Nguyen ALP, Izgorodina EI. Behavior of counterpoise correction in many-body molecular clusters of organic compounds: Hartree-Fock interaction energy perspective. Journal of Computational Chemistry. 43: 568-576. PMID 35137436 DOI: 10.1002/jcc.26814 |
0.199 |
|
| 2020 |
Wylie L, Flynn M, Blair VL, Andrews PC, Izgorodina EI. Isomers of Alkali Metal (Methylbenzyl)allylamides: A Theoretical Perspective. Acs Omega. 5: 9448-9457. PMID 32363297 DOI: 10.1021/acsomega.0c00652 |
0.197 |
|
| 2019 |
Gwee ESH, Seeger ZL, Appadoo DRT, Wood BR, Izgorodina EI. Influence of DFT Functionals and Solvation Models on the Prediction of Far-Infrared Spectra of Pt-Based Anticancer Drugs: Why Do Different Complexes Require Different Levels of Theory? Acs Omega. 4: 5254-5269. PMID 31459697 DOI: 10.1021/acsomega.8b03455 |
0.182 |
|
| 2012 |
Johnston P, Izgorodina EI, Saito K. The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 11: 1938-51. PMID 22952024 DOI: 10.1039/c2pp25228g |
0.179 |
|
| 2015 |
Scarborough DLA, Kobayashi R, Thompson CD, Izgorodina EI. Active space and basis set effects in CASPT2 models of the 1,3-butadiene-ethene cycloaddition and the 1,3-butadiene dimerization International Journal of Quantum Chemistry. 115: 989-1001. DOI: 10.1002/qua.24933 |
0.167 |
|
| 2003 |
Buenker R, Liebermann H, Kokh D, Izgorodina E, Whitten J. Configuration interaction study of the excited states of CO adsorbed on a Pt97 cluster Chemical Physics. 291: 115-124. DOI: 10.1016/S0301-0104(03)00188-5 |
0.165 |
|
| 2002 |
Buenker RJ, Whitten JL, Izgorodina EI, Liebermann HP, Kokh DB. Use of exchange maximization to generate starting vectors for self-consistent field calculations on metal cluster/adsorbate systems. Journal of Computational Chemistry. 23: 943-9. PMID 12116399 DOI: 10.1002/Jcc.10094 |
0.156 |
|
| 2018 |
Hanabusa H, Izgorodina EI, Suzuki S, Takeoka Y, Rikukawa M, Yoshizawa-Fujita M. Cellulose-dissolving protic ionic liquids as low cost catalysts for direct transesterification reactions of cellulose Green Chemistry. 20: 1412-1422. DOI: 10.1039/C7GC03603E |
0.151 |
|
| 2011 |
Deacon GB, Forsyth CM, Junk PC, Izgorodina EI, Ness TJ, Meyer G, Pantenburg I. A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials Crystengcomm. 13: 88-92. DOI: 10.1039/C0Ce00258E |
0.146 |
|
| 2018 |
Sadler PJ, Vernooij R, Joshi T, Horbury M, Graham B, Izgorodina E, Stavros V, Spiccia L, Wood B. Spectroscopic Studies on Photoinduced Reactions of the Anticancer Prodrug, trans,trans,trans-[Pt(N3)2(OH)2(py)2]. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29314368 DOI: 10.1002/Chem.201705349 |
0.144 |
|
| 2015 |
Hadlington TJ, Schwarze B, Izgorodina EI, Jones C. Two-coordinate hydrido-germylenes. Chemical Communications (Cambridge, England). 51: 6854-7. PMID 25791698 DOI: 10.1039/C5Cc01314C |
0.116 |
|
| 2016 |
Vernooij RR, Joshi T, Shaili E, Kubeil M, Appadoo DR, Izgorodina EI, Graham B, Sadler PJ, Wood BR, Spiccia L. Comprehensive Vibrational Spectroscopic Investigation of trans,trans,trans-[Pt(N3)2(OH)2(py)2], a Pt(IV) Diazido Anticancer Prodrug Candidate. Inorganic Chemistry. PMID 27257848 DOI: 10.1021/Acs.Inorgchem.6B00476 |
0.115 |
|
| 2018 |
Auckett JE, Duyker SG, Izgorodina EI, Hawes CS, Turner DR, Batten SR, Peterson VK. Anisotropic Thermal and Guest-Induced Responses of an Ultramicroporous Framework with Rigid Linkers. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29450922 DOI: 10.1002/Chem.201800261 |
0.113 |
|
| 2018 |
Vernooij RR, Joshi T, Horbury MD, Graham B, Izgorodina EI, Stavros VG, Sadler PJ, Spiccia L, Wood BR. Front Cover: Spectroscopic Studies on Photoinduced Reactions of the Anticancer Prodrug, trans,trans,trans
-[Pt(N3
)2
(OH)2
(py)2
] (Chem. Eur. J. 22/2018) Chemistry - a European Journal. 24: 5675-5675. DOI: 10.1002/Chem.201800161 |
0.108 |
|
| 2018 |
McCoy TM, de Campo L, Sokolova AV, Grillo I, Izgorodina EI, Tabor RF. Bulk properties of aqueous graphene oxide and reduced graphene oxide with surfactants and polymers: adsorption and stability. Physical Chemistry Chemical Physics : Pccp. PMID 29888351 DOI: 10.1039/c8cp02738b |
0.104 |
|
| 2018 |
Stevens MA, Hashim FH, Gwee ESH, Izgorodina EI, Mulvey RE, Blair VL. Contrasting synergistic heterobimetallic(Na-Mg) and homometallic (Na or Mg) bases in metallation reactions of dialkyl- phenylphosphines and -anilines: lateral vs ring selectivities. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30101451 DOI: 10.1002/Chem.201803477 |
0.094 |
|
| 2017 |
Haputhanthri R, Ojha R, Izgorodina EI, Guo S, Deacon GB, McNaughton D, Wood BR. A spectroscopic investigation into the binding of novel platinum(IV) and platium(II) anticancer drugs with DNA Vibrational Spectroscopy. 92: 82-95. DOI: 10.1016/J.Vibspec.2017.02.006 |
0.094 |
|
| 2020 |
Wylie L, Blesch T, Freeman R, Hatakeyama-Sato K, Oyaizu K, Yoshizawa-Fujita M, Izgorodina EI. Reversible Reduction of the TEMPO Radical: One Step Closer to an All-Organic Redox Flow Battery Acs Sustainable Chemistry & Engineering. 8: 17988-17996. DOI: 10.1021/acssuschemeng.0c05687 |
0.09 |
|
| 2019 |
Cox RP, Sandanayake S, Scarborough DLA, Izgorodina EI, Langford SJ, Bell TDM. Investigation of cation binding and sensing by new crown ether core substituted naphthalene diimide systems New Journal of Chemistry. 43: 2011-2018. DOI: 10.1039/C8Nj05666H |
0.081 |
|
| 2023 |
Thomson AL, Gleeson EC, Belgi A, Jackson WR, Izgorodina EI, Robinson AJ. Negating coordinative cysteine and methionine residues during metathesis of unprotected peptides. Chemical Communications (Cambridge, England). PMID 37200079 DOI: 10.1039/d3cc01476b |
0.079 |
|
| 2018 |
Kyratzis N, Cao W, Izgorodina EI, Turner DR. Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study Crystengcomm. 20: 4115-4126. DOI: 10.1039/C8Ce00744F |
0.077 |
|
| 2018 |
Auckett JE, Duyker SG, Izgorodina EI, Hawes CS, Turner DR, Batten SR, Peterson VK. Frontispiece: Anisotropic Thermal and Guest-Induced Responses of an Ultramicroporous Framework with Rigid Linkers Chemistry - a European Journal. 24. DOI: 10.1002/Chem.201881964 |
0.043 |
|
| 2014 |
Maniam S, Higginbotham HF, Guo SX, Bell TDM, Izgorodina EI, Langford SJ. A Redox Switchable Dihydrobenzo[b]pyrazine Push-Pull System Asian Journal of Organic Chemistry. 3: 619-623. DOI: 10.1002/ajoc.201402015 |
0.03 |
|
| 2016 |
Maniam S, Sandanayake S, Izgorodina EI, Langford SJ. Unusual Products from Oxidation of Naphthalene Diimides Asian Journal of Organic Chemistry. 5: 490-493. DOI: 10.1002/ajoc.201600048 |
0.016 |
|
| 2017 |
Puntharod R, Haller KJ, Robertson EG, Gwee ESH, Izgorodina EI, Wood BR. An improved model for malaria pigment and β
-hematin: Fe(OEP)picrate Journal of Raman Spectroscopy. 48: 1148-1157. DOI: 10.1002/JRS.5176 |
0.012 |
|
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