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Samuel O. Odoh, Ph.D. - Publications

Affiliations: 
2013 Chemistry University of Manitoba, Winnipeg, Manitoba, Canada 
Area:
Inorganic Chemistry, Physical Chemistry, Nuclear Chemistry
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33/52 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Adeyiga O, Panthi D, Suleiman O, Stetler D, Long RW, Odoh SO. Activating Water and Hydrogen by Ligand-Modified Uranium and Neptunium Complexes: A Density Functional Theory Study. Inorganic Chemistry. PMID 32049500 DOI: 10.1021/acs.inorgchem.9b03433  0.373
2019 Panthi D, Adeyiga O, Dandu NK, Odoh SO. Nitrogen Reduction by Multimetallic trans-Uranium Actinide Complexes: A Theoretical Comparison of Np and Pu to U. Inorganic Chemistry. PMID 31050297 DOI: 10.1021/acs.inorgchem.9b00129  0.333
2018 Dandu NK, Reed JA, Odoh SO. Performance of Density Functional Theory for Predicting Methane-to-Methanol Conversion by a Tri-Copper Complex Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.7B09284  0.344
2016 Odoh SO, Manni GL, Carlson RK, Truhlar DG, Gagliardi L. Separated-pair approximation and separated-pair pair-density functional theory. Chemical Science. 7: 2399-2413. PMID 29997782 DOI: 10.1039/C5Sc03321G  0.375
2016 Bao JL, Odoh SO, Gagliardi L, Truhlar DG. Predicting Bond Dissociation Energies of Transition Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs. Journal of Chemical Theory and Computation. PMID 28001390 DOI: 10.1021/Acs.Jctc.6B01102  0.37
2016 Kusler K, Odoh SO, Silakov A, Poyton MF, Pullanchery S, Cremer PS, Gagliardi L. What Is the Preferred Conformation of Phosphatidylserine-Copper(II) Complexes? A Combined Theoretical and Experimental Investigation. The Journal of Physical Chemistry. B. PMID 27957849 DOI: 10.1021/Acs.Jpcb.6B10675  0.312
2016 Taherinia D, Smith CE, Ghosh S, Odoh SO, Balhorn L, Gagliardi L, Cramer CJ, Frisbie CD. Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally-Assisted Polaron Tunneling. Acs Nano. PMID 27017971 DOI: 10.1021/Acsnano.5B08126  0.365
2016 Odoh SO, Shamblin J, Colla CA, Hickam S, Lobeck HL, Lopez RA, Olds T, Szymanowski JE, Sigmon GE, Neuefeind J, Casey WH, Lang M, Gagliardi L, Burns PC. Structure and Reactivity of X-ray Amorphous Uranyl Peroxide, U2O7. Inorganic Chemistry. PMID 26974702 DOI: 10.1021/Acs.Inorgchem.6B00017  0.362
2016 Yang D, Odoh SO, Borycz J, Wang TC, Farha OK, Hupp JT, Cramer CJ, Gagliardi L, Gates BC. Tuning Zr6 Metal-Organic Framework (MOF) Nodes as Catalyst Supports: Site Densities and Electron-Donor Properties Influence Molecular Iridium Complexes as Ethylene Conversion Catalysts Acs Catalysis. 6: 235-247. DOI: 10.1021/Acscatal.5B02243  0.462
2015 Vlaisavljevich B, Odoh SO, Schnell SK, Dzubak AL, Lee K, Planas N, Neaton JB, Gagliardi L, Smit B. CO2 induced phase transitions in diamine-appended metal-organic frameworks. Chemical Science. 6: 5177-5185. PMID 28717499 DOI: 10.1039/C5Sc01828E  0.325
2015 Carlson RK, Odoh SO, Tereniak SJ, Lu CC, Gagliardi L. Can Multiconfigurational Self-Consistent Field Theory and Density Functional Theory Correctly Predict the Ground State of Metal-Metal-Bonded Complexes? Journal of Chemical Theory and Computation. 11: 4093-4101. PMID 26575905 DOI: 10.1021/Acs.Jctc.5B00412  0.416
2015 Smith CE, Odoh SO, Ghosh S, Gagliardi L, Cramer CJ, Frisbie CD. Length Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires. Journal of the American Chemical Society. PMID 26575438 DOI: 10.1021/Jacs.5B07400  0.36
2015 Drisdell WS, Poloni R, McDonald TM, Pascal TA, Wan LF, Pemmaraju CD, Vlaisavljevich B, Odoh SO, Neaton JB, Long JR, Prendergast D, Kortright JB. Probing the mechanism of CO2 capture in diamine-appended metal-organic frameworks using measured and simulated X-ray spectroscopy. Physical Chemistry Chemical Physics : Pccp. PMID 26219236 DOI: 10.1039/C5Cp02951A  0.389
2015 Yang D, Odoh SO, Wang TC, Farha OK, Hupp JT, Cramer CJ, Gagliardi L, Gates BC. Metal-Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts: NU-1000- and UiO-66-Supported Iridium Complexes. Journal of the American Chemical Society. 137: 7391-6. PMID 25990021 DOI: 10.1021/Jacs.5B02956  0.354
2015 Anderson NH, Odoh SO, Williams UJ, Lewis AJ, Wagner GL, Lezama Pacheco J, Kozimor SA, Gagliardi L, Schelter EJ, Bart SC. Investigation of the electronic ground states for a reduced pyridine(diimine) uranium series: evidence for a ligand tetraanion stabilized by a uranium dimer. Journal of the American Chemical Society. 137: 4690-700. PMID 25830409 DOI: 10.1021/Ja511867A  0.494
2014 Odoh SO, Bondarevsky GD, Karpus J, Cui Q, He C, Spezia R, Gagliardi L. UO₂²⁺ uptake by proteins: understanding the binding features of the super uranyl binding protein and design of a protein with higher affinity. Journal of the American Chemical Society. 136: 17484-94. PMID 25411020 DOI: 10.1021/Ja5087563  0.317
2014 Anderson NH, Odoh SO, Yao Y, Williams UJ, Schaefer BA, Kiernicki JJ, Lewis AJ, Goshert MD, Fanwick PE, Schelter EJ, Walensky JR, Gagliardi L, Bart SC. Harnessing redox activity for the formation of uranium tris(imido) compounds. Nature Chemistry. 6: 919-26. PMID 25242488 DOI: 10.1038/Nchem.2009  0.438
2014 Lucena AF, Odoh SO, Zhao J, Marçalo J, Schreckenbach G, Gibson JK. Oxo-exchange of gas-phase uranyl, neptunyl, and plutonyl with water and methanol. Inorganic Chemistry. 53: 2163-70. PMID 24484174 DOI: 10.1021/Ic402824K  0.581
2013 Odoh SO, Bylaska EJ, de Jong WA. Coordination and hydrolysis of plutonium ions in aqueous solution using Car-Parrinello molecular dynamics free energy simulations. The Journal of Physical Chemistry. A. 117: 12256-67. PMID 24168210 DOI: 10.1021/Jp4096248  0.379
2013 Odoh SO, Govind N, Schreckenbach G, de Jong WA. Cation-cation interactions in [(UO2)2(OH)n](4-n) complexes. Inorganic Chemistry. 52: 11269-79. PMID 24024761 DOI: 10.1021/Ic4015338  0.646
2013 Guo YR, Wu Q, Odoh SO, Schreckenbach G, Pan QJ. Theoretical study of structural, spectroscopic and reaction properties of trans-bis(imido) uranium(VI) complexes. Inorganic Chemistry. 52: 9143-52. PMID 23834342 DOI: 10.1021/Ic401440W  0.651
2013 Odoh SO, Schreckenbach G. DFT study of uranyl peroxo complexes with H2O, F-, OH-, CO3(2-), and NO3(-). Inorganic Chemistry. 52: 5590-602. PMID 23573914 DOI: 10.1021/Ic400652B  0.669
2013 Arnold PL, Hollis E, Nichol GS, Love JB, Griveau JC, Caciuffo R, Magnani N, Maron L, Castro L, Yahia A, Odoh SO, Schreckenbach G. Oxo-functionalization and reduction of the uranyl ion through lanthanide-element bond homolysis: synthetic, structural, and bonding analysis of a series of singly reduced uranyl-rare earth 5f1-4f(n) complexes. Journal of the American Chemical Society. 135: 3841-54. PMID 23451865 DOI: 10.1021/Ja308993G  0.664
2013 Odoh SO, Schreckenbach G. DFT study of oxo-functionalized pentavalent dioxouranium complexes: structure, bonding, ligand exchange, dimerization, and U(V)/U(IV) reduction of OUOH and OUOSiH3 complexes. Inorganic Chemistry. 52: 245-57. PMID 23244631 DOI: 10.1021/Ic301762G  0.678
2013 Duhovi? S, Oria JV, Odoh SO, Schreckenbach G, Batista ER, Diaconescu PL. Investigation of the electronic structure of mono(1,1′- diamidoferrocene) uranium(IV) complexes Organometallics. 32: 6012-6021. DOI: 10.1021/Om400521K  0.637
2012 Pan QJ, Odoh SO, Schreckenbach G, Arnold PL, Love JB. Theoretical exploration of uranyl complexes of a designed polypyrrolic macrocycle: structure/property effects of hinge size on Pacman-shaped complexes. Dalton Transactions (Cambridge, England : 2003). 41: 8878-85. PMID 22714056 DOI: 10.1039/C2Dt31055D  0.623
2012 Odoh SO, Pan QJ, Shamov GA, Wang F, Fayek M, Schreckenbach G. Theoretical study of the reduction of uranium(VI) aquo complexes on titania particles and by alcohols. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 7117-27. PMID 22517439 DOI: 10.1002/Chem.201101197  0.649
2012 Arnold PL, Jones GM, Odoh SO, Schreckenbach G, Magnani N, Love JB. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature Chemistry. 4: 221-7. PMID 22354437 DOI: 10.1038/Nchem.1270  0.621
2012 Pan QJ, Odoh SO, Asaduzzaman AM, Schreckenbach G. Adsorption of uranyl species onto the rutile (110) surface: a periodic DFT study. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 1458-66. PMID 22213421 DOI: 10.1002/Chem.201101320  0.602
2011 Odoh SO, Schreckenbach G. Theoretical study of the structural properties of plutonium(IV) and (VI) complexes. The Journal of Physical Chemistry. A. 115: 14110-9. PMID 22040181 DOI: 10.1021/Jp207556B  0.687
2011 Pan QJ, Guo YR, Li L, Odoh SO, Fu HG, Zhang HX. Structures, spectroscopic properties and redox potentials of quaterpyridyl Ru(II) photosensitizer and its derivatives for solar energy cell: a density functional study. Physical Chemistry Chemical Physics : Pccp. 13: 14481-9. PMID 21735037 DOI: 10.1039/C1Cp00030F  0.41
2011 Odoh SO, Walker SM, Meier M, Stetefeld J, Schreckenbach G. QM and QM/MM studies of uranyl fluorides in the gas and aqueous phases and in the hydrophobic cavities of tetrabrachion. Inorganic Chemistry. 50: 3141-52. PMID 21391587 DOI: 10.1021/Ic2001706  0.632
2010 Odoh SO, Schreckenbach G. Performance of relativistic effective core potentials in DFT calculations on actinide compounds. The Journal of Physical Chemistry. A. 114: 1957-63. PMID 20039716 DOI: 10.1021/Jp909576W  0.606
Low-probability matches (unlikely to be authored by this person)
2015 McDonald TM, Mason JA, Kong X, Bloch ED, Gygi D, Dani A, Crocellà V, Giordanino F, Odoh SO, Drisdell WS, Vlaisavljevich B, Dzubak AL, Poloni R, Schnell SK, Planas N, et al. Cooperative insertion of CO2 in diamine-appended metal-organic frameworks. Nature. 519: 303-8. PMID 25762144 DOI: 10.1038/Nature14327  0.299
2019 Adeyiga O, Suleiman O, Dandu NK, Odoh SO. Ground-state actinide chemistry with scalar-relativistic multiconfiguration pair-density functional theory. The Journal of Chemical Physics. 151: 134102. PMID 31594337 DOI: 10.1063/1.5099373  0.292
2014 Odoh SO, Deem MW, Gagliardi L. Preferential location of germanium in the UTL and IPC-2a zeolites Journal of Physical Chemistry C. 118: 26939-26946. DOI: 10.1021/Jp510495W  0.271
2016 Odoh SO, Manni GL, Carlson RK, Truhlar DG, Gagliardi L. Separated-pair approximation and separated-pair pair-density functional theory Chemical Science. 7: 2399-2413. DOI: 10.1039/c5sc03321g  0.265
2018 Dandu NK, Adeyiga O, Panthi D, Bird SA, Odoh SO. Performance of density functional theory for describing hetero-metallic active-site motifs for methane-to-methanol conversion in metal-exchanged zeolites. Journal of Computational Chemistry. PMID 30379335 DOI: 10.1002/jcc.25714  0.253
2015 Carlson RK, Odoh SO, Tereniak SJ, Lu CC, Gagliardi L. Can Multiconfigurational Self-Consistent Field Theory and Density Functional Theory Correctly Predict the Ground State of Metal-Metal-Bonded Complexes? Journal of Chemical Theory and Computation. 11: 4093-4101. DOI: 10.1021/acs.jctc.5b00412  0.244
2015 Odoh SO, Cramer CJ, Truhlar DG, Gagliardi L. Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks. Chemical Reviews. 115: 6051-111. PMID 25872949 DOI: 10.1021/Cr500551H  0.24
2020 Chalyavi F, Adeyiga O, Weiner JM, Monzy JN, Schmitz AJ, Nguyen JK, Fenlon EE, Brewer SH, Odoh SO, Tucker MJ. 2D-IR studies of cyanamides (NCN) as spectroscopic reporters of dynamics in biomolecules: Uncovering the origin of mysterious peaks. The Journal of Chemical Physics. 152: 074201. PMID 32087671 DOI: 10.1063/1.5138654  0.237
2021 Curtis K, Panthi D, Odoh SO. Time-Dependent Density Functional Theory Study of Copper(II) Oxo Active Sites for Methane-to-Methanol Conversion in Zeolites. Inorganic Chemistry. 60: 1149-1159. PMID 33399001 DOI: 10.1021/acs.inorgchem.0c03279  0.226
2019 Benson N, Suleiman O, Odoh SO, Woydziak ZR. Pyrazole, Imidazole, and Isoindolone Dipyrrinone Analogs: pH Dependent Fluorophores that Red-Shift Emission Frequencies in Basic Solution. The Journal of Organic Chemistry. PMID 31438666 DOI: 10.1021/acs.joc.9b01708  0.223
2021 Adeyiga O, Suleiman O, Odoh SO. Copper-Oxo Active Sites for Methane C-H Activation in Zeolites: Molecular Understanding of Impact of Methane Hydroxylation on UV-Vis Spectra. Inorganic Chemistry. 60: 8489-8499. PMID 34097398 DOI: 10.1021/acs.inorgchem.0c03510  0.208
2021 Adeyiga O, Odoh SO. Methane Over-Oxidation by Extra-Framework Copper-Oxo Active Sites of Copper-Exchanged Zeolites: Crucial Role of Traps for the Separated Methyl Group. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33786957 DOI: 10.1002/cphc.202100103  0.2
2023 Curtis K, King C, Odoh SO. Novel Triangulenes: Computational Investigations of Energy Thresholds for Photocatalytic Water Splitting. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300556. PMID 37718310 DOI: 10.1002/cphc.202300556  0.192
2023 Curtis K, Adeyiga O, Suleiman O, Odoh SO. Building on the strengths of a double-hybrid density functional for excitation energies and inverted singlet-triplet energy gaps. The Journal of Chemical Physics. 158: 024116. PMID 36641391 DOI: 10.1063/5.0133727  0.189
2022 Walls B, Suleiman O, Arambula C, Hall A, Adeyiga O, Boumelhem F, Koh J, Odoh SO, Woydziak ZR. Improving the Brightness of Pyronin Fluorophore Systems through Quantum-Mechanical Predictions. The Journal of Physical Chemistry Letters. 8312-8318. PMID 36040023 DOI: 10.1021/acs.jpclett.2c02287  0.159
2021 Panthi D, Adeyiga O, Odoh SO. DFT Analysis of Methane C-H Activation and Over-Oxidation by [Cu O] and [Cu O ] Sites in Zeolite Mordenite: Intra- versus Inter-site Over-Oxidation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34519406 DOI: 10.1002/cphc.202100580  0.147
2021 Suleiman O, Panthi D, Adeyiga O, Odoh SO. Methane C-H Activation by [CuO] and [CuO] in Copper-Exchanged Zeolites: Computational Analysis of Redox Chemistry and X-ray Absorption Spectroscopy. Inorganic Chemistry. 60: 6218-6227. PMID 33876934 DOI: 10.1021/acs.inorgchem.0c03693  0.133
2015 Vlaisavljevich B, Odoh SO, Schnell SK, Dzubak AL, Lee K, Planas N, Neaton JB, Gagliardi L, Smit B. CO2 induced phase transitions in diamine-appended metal-organic frameworks Chemical Science. 6: 5177-5185. DOI: 10.1039/c5sc01828e  0.093
2014 De Jong WA, Odoh SO, Atta-Fynn R, Bylaska EJ. Predictive modeling of actinides in solution environments Plutonium Futures: the Science 2014. 94-95.  0.056
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