S. Odoh

发表

Structures, spectroscopic properties and redox potentials of quaterpyridyl Ru(II) photosensitizer and its derivatives for solar energy cell: a density functional study.

Hong-Xing Zhang, Qingjiang Pan, Yuanru Guo, 2011, Physical chemistry chemical physics : PCCP.

Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks.

C. Cramer, D. Truhlar, S. Odoh, 2015, Chemical reviews.

Separated-pair approximation and separated-pair pair-density functional theory

Rebecca K. Carlson, D. Truhlar, S. Odoh, 2015, Chemical science.

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.

G. Schreckenbach, R. Caciuffo, N. Magnani, 2013, Journal of the American Chemical Society.

DFT study of oxo-functionalized pentavalent dioxouranium complexes: structure, bonding, ligand exchange, dimerization, and U(V)/U(IV) reduction of OUOH and OUOSiH3 complexes.

G. Schreckenbach, S. Odoh, 2013, Inorganic chemistry.

A cooperative insertion mechanism for efficient CO 2 capture in diamine-appended metal-organic frameworks

B. Smit, J. Kortright, J. Neaton, 2014 .

Tuning Zr6 Metal–Organic Framework (MOF) Nodes as Catalyst Supports: Site Densities and Electron-Donor Properties Influence Molecular Iridium Complexes as Ethylene Conversion Catalysts

J. Hupp, C. Cramer, O. Farha, 2016 .

Ground-state actinide chemistry with scalar-relativistic multiconfiguration pair-density functional theory.

Naveen K. Dandu, S. Odoh, O. Suleiman, 2019, The Journal of chemical physics.

Membrane-modified Electrocatalysts for Nitrate Reduction to Ammonia with High Faradaic Efficiency

S. Odoh, Christopher J. Barile, Profulla Mondol, 2022, Journal of Materials Chemistry A.

F 1s spectroscopy and ionic fragmentation of trifluoropropyne

S. Odoh, Liu Yang, N. Appathurai, 2008 .

Nitrogen Reduction by Multimetallic trans-Uranium Actinide Complexes: A Theoretical Comparison of Np and Pu to U.

Naveen K. Dandu, S. Odoh, Olajumoke Adeyiga, 2019, Inorganic chemistry.

Improving the Brightness of Pyronin Fluorophore Systems through Quantum-Mechanical Predictions.

S. Odoh, O. Suleiman, J. Koh, 2022, The journal of physical chemistry letters.

CO 2 induced phase transitions in diamine-appended metal – organic frameworks †

B. Smit, Bess Vlaisavljevich, Kyuho Lee, 2015 .

Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks

C. Cramer, D. Truhlar, S. Odoh, 2015 .

Theoretical study of the structural properties of plutonium(IV) and (VI) complexes.

G. Schreckenbach, S. Odoh, 2011, The journal of physical chemistry. A.

Pyrazole, Imidazole, and Isoindolone Dipyrrinone Analogs: pH Dependent Fluorophores that Red-Shift Emission Frequencies in Basic Solution.

S. Odoh, O. Suleiman, N. Benson, 2019, The Journal of organic chemistry.

Investigation of the electronic ground states for a reduced pyridine(diimine) uranium series: evidence for a ligand tetraanion stabilized by a uranium dimer.

S. Odoh, L. Gagliardi, G. Wagner, 2015, Journal of the American Chemical Society.

Adsorption of uranyl species onto the rutile (110) surface: a periodic DFT study.

G. Schreckenbach, Qingjiang Pan, S. Odoh, 2012, Chemistry.

Theoretical study of the reduction of uranium(VI) aquo complexes on titania particles and by alcohols.

Georg Schreckenbach, Feiyue Wang, Qing-Jiang Pan, 2012, Chemistry.

Harnessing redox activity for the formation of uranium tris(imido) compounds.

P. Fanwick, S. Odoh, L. Gagliardi, 2014, Nature chemistry.

Oxo-exchange of gas-phase uranyl, neptunyl, and plutonyl with water and methanol.

G. Schreckenbach, Jing Zhao, S. Odoh, 2014, Inorganic chemistry.

Cation-cation interactions in [(UO2)2(OH)n](4-n) complexes.

N. Govind, W. D. de Jong, G. Schreckenbach, 2013, Inorganic chemistry.

DFT study of uranyl peroxo complexes with H2O, F-, OH-, CO3(2-), and NO3(-).

G. Schreckenbach, S. Odoh, 2013, Inorganic chemistry.

Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.

G. Schreckenbach, N. Magnani, J. Love, 2012, Nature chemistry.

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks

Jeffrey A. Reimer, Walter S. Drisdell, Jeffrey B. Neaton, 2015, Nature.

Investigation of the Electronic Structure of Mono(1,1′-Diamidoferrocene) Uranium(IV) Complexes

G. Schreckenbach, S. Odoh, E. Batista, 2013 .

Theoretical study of structural, spectroscopic and reaction properties of trans-bis(imido) uranium(VI) complexes.

G. Schreckenbach, Qingjiang Pan, Yuanru Guo, 2013, Inorganic chemistry.

Theoretical exploration of uranyl complexes of a designed polypyrrolic macrocycle: structure/property effects of hinge size on Pacman-shaped complexes.

G. Schreckenbach, J. Love, Qingjiang Pan, 2012, Dalton transactions.

Activating Water and Hydrogen by Ligand-Modified Uranium and Neptunium Complexes: A Density Functional Theory Study.

S. Odoh, O. Suleiman, Olajumoke Adeyiga, 2020, Inorganic chemistry.

UO₂²⁺ uptake by proteins: understanding the binding features of the super uranyl binding protein and design of a protein with higher affinity.

Q. Cui, Chuan He, S. Odoh, 2014, Journal of the American Chemical Society.

Coordination and hydrolysis of plutonium ions in aqueous solution using Car-Parrinello molecular dynamics free energy simulations.

Wibe A de Jong, Eric J Bylaska, E. Bylaska, 2013, The journal of physical chemistry. A.

Probing the mechanism of CO₂ capture in diamine-appended metal-organic frameworks using measured and simulated X-ray spectroscopy.

J. Kortright, J. Neaton, J. Long, 2015, Physical chemistry chemical physics : PCCP.

Performance of density functional theory for describing hetero‐metallic active‐site motifs for methane‐to‐methanol conversion in metal‐exchanged zeolites

Naveen K. Dandu, Olajumoke Adeyiga, Dipak Panthi, 2018, J. Comput. Chem..

Cooperative insertion of CO 2 in diamine-appended metal-organic frameworks

B. Smit, J. Kortright, J. Neaton, 2015 .

Probing the mechanism of CO2 capture in diamine-appended metalorganic frameworks using measured and simulated X-ray spectroscopy

J. Kortright, J. Neaton, J. Long, 2015 .

Can Multiconfigurational Self-Consistent Field Theory and Density Functional Theory Correctly Predict the Ground State of Metal-Metal-Bonded Complexes?

Rebecca K. Carlson, S. Odoh, L. Gagliardi, 2015, Journal of chemical theory and computation.

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.

Donald G Truhlar, Laura Gagliardi, D. Truhlar, 2017, Journal of chemical theory and computation.

Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally Assisted Polaron Tunneling.

C. Cramer, C. Frisbie, S. Odoh, 2016, ACS nano.

Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires.

C. Cramer, C. Frisbie, S. Odoh, 2015, Journal of the American Chemical Society.

Heterometallic [Cu–O–M]2+ active sites for methane C–H activation in zeolites: stability, reactivity, formation mechanism and relationship to other active sites

S. Odoh, Olajumoke Adeyiga, Dipak Panthi, 2021, Catalysis Science & Technology.

Methane C-H Activation by [Cu2O]2+ and [Cu3O3]2+ in Copper-Exchanged Zeolites: Computational Analysis of Redox Chemistry and X-ray Absorption Spectroscopy.

S. Odoh, O. Suleiman, Olajumoke Adeyiga, 2021, Inorganic chemistry.

Methane Over-Oxidation by Extra-Framework Copper-Oxo Active Sites of Copper-Exchanged Zeolites: Crucial Role of Traps for the Separated Methyl Group.

S. Odoh, Olajumoke Adeyiga, 2021, Chemphyschem : a European journal of chemical physics and physical chemistry.

Metal-organic framework nodes as nearly ideal supports for molecular catalysts: NU-1000- and UiO-66-supported iridium complexes.

J. Hupp, C. Cramer, O. Farha, 2015, Journal of the American Chemical Society.

Structure and Reactivity of X-ray Amorphous Uranyl Peroxide, U2O7.

W. Casey, J. Neuefeind, S. Odoh, 2016, Inorganic chemistry.

CO2 induced phase transitions in diamine-appended metal–organic frameworks

B. Smit, J. Neaton, Bess Vlaisavljevich, 2015, Chemical science.

CO2 induced phase transitions in diamine-appended metal–organic frameworks

B. Smit, J. Neaton, Bess Vlaisavljevich, 2015, Chemical science.

Performance of relativistic effective core potentials in DFT calculations on actinide compounds.

G. Schreckenbach, S. Odoh, 2010, The journal of physical chemistry. A.

2D-IR studies of cyanamides (NCN) as spectroscopic reporters of dynamics in biomolecules: Uncovering the origin of mysterious peaks.

M. J. Tucker, S. Odoh, Andrew J. Schmitz, 2020, The Journal of chemical physics.

Copper-Oxo Active Sites in the 8MR of Zeolite Mordenite: DFT Investigation of the Impact of Acid Sites on Methanol Yield and Selectivity

S. Odoh, O. Suleiman, Olajumoke Adeyiga, 2021 .

Preferential location of germanium in the UTL and IPC-2a zeolites

M. Deem, S. Odoh, L. Gagliardi, 2014 .