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Olaseni Sode
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Ab initio molecular crystal structures, spectra, and phase diagrams
S Hirata, K Gilliard, X He, J Li, O Sode
Accounts of chemical research 47 (9), 2721-2730, 2014
952014
Second-order many-body perturbation study of ice Ih
X He, O Sode, SS Xantheas, S Hirata
The Journal of chemical physics 137 (20), 2012
842012
A solid–solid phase transition in carbon dioxide at high pressures and intermediate temperatures
J Li, O Sode, GA Voth, S Hirata
Nature communications 4 (1), 2647, 2013
742013
Fermi resonance in solid CO2 under pressure
O Sode, M Keçeli, K Yagi, S Hirata
The Journal of Chemical Physics 138 (7), 2013
632013
Second-order many-body perturbation study of solid hydrogen fluoride under pressure
O Sode, S Hirata
Physical Chemistry Chemical Physics 14 (21), 7765-7779, 2012
492012
Coupled‐cluster and many‐body perturbation study of energies, structures, and phonon dispersions of solid hydrogen fluoride
O Sode, M Keçeli, S Hirata, K Yagi
International Journal of Quantum Chemistry 109 (9), 1928-1939, 2009
462009
Simulating protein mediated hydrolysis of ATP and other nucleoside triphosphates by combining QM/MM molecular dynamics with advances in metadynamics
R Sun, O Sode, JF Dama, GA Voth
Journal of chemical theory and computation 13 (5), 2332-2341, 2017
452017
Second-order many-body perturbation study of solid hydrogen fluoride
O Sode, S Hirata
The Journal of Physical Chemistry A 114 (33), 8873-8877, 2010
302010
Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenase
O Sode, GA Voth
The Journal of Chemical Physics 141 (22), 2014
282014
Extensivity of energy and electronic and vibrational structure methods for crystals
S Hirata, M Keçeli, Y Ohnishi, O Sode, K Yagi
Annual Review of Physical Chemistry 63 (1), 131-153, 2012
262012
Second-order many-body perturbation study on thermal expansion of solid carbon dioxide
J Li, O Sode, S Hirata
Journal of chemical theory and computation 11 (1), 224-229, 2015
252015
Second-order many-body perturbation and coupled-cluster singles and doubles study of ice VIII
K Gilliard, O Sode, S Hirata
The Journal of Chemical Physics 140 (17), 2014
242014
Development of a Flexible‐Monomer Two‐Body Carbon Dioxide Potential and Its Application to Clusters up to (CO2)13
O Sode, JN Cherry
Journal of Computational Chemistry 38 (32), 2763-2774, 2017
152017
Building capacity for undergraduate education and training in computational molecular science: A collaboration between the MERCURY consortium and the Molecular Sciences …
AR McDonald, JA Nash, PS Nerenberg, KA Ball, O Sode, JJ Foley IV, ...
International Journal of Quantum Chemistry 120 (20), e26359, 2020
92020
Understanding the anharmonic vibrational structure of the carbon dioxide dimer
S Maystrovsky, M Keçeli, O Sode
The Journal of Chemical Physics 150 (14), 2019
72019
Finding chemical reaction paths with a multilevel preconditioning protocol
S Kale, O Sode, J Weare, AR Dinner
Journal of chemical theory and computation 10 (12), 5467-5475, 2014
72014
Response to “Comment on ‘Fermi resonance in solid CO2 under pressure’”[J. Chem. Phys. 140, 177101 (2014)]
S Hirata, O Sode, M Keçeli, K Yagi, J Li
The Journal of Chemical Physics 140 (17), 2014
72014
Theoretical investigation of the vibrational structure of the Ar–CO2 complex
O Sode, J Ruiz, S Peralta
Journal of Molecular Spectroscopy 380, 111512, 2021
42021
Ab initio Ice, Dry Ice, and Liquid Water
S Hirata, K Gilliard, X He, M Keçeli, J Li, M A. Salim, O Sode, K Yagi
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems …, 2017
42017
Electron correlation in solids: Delocalized and localized orbital approaches
S Hirata, O Sode, M Kec
Accurate Condensed-Phase Quantum Chemistry, 147-180, 2010
42010
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