| 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 | 94 | 2014 |
| 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 | 84 | 2012 |
| 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 | 74 | 2013 |
| Fermi resonance in solid CO2 under pressure O Sode, M Keçeli, K Yagi, S Hirata The Journal of Chemical Physics 138 (7), 2013 | 62 | 2013 |
| 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 | 49 | 2012 |
| 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 | 46 | 2009 |
| 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 | 45 | 2017 |
| 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 | 30 | 2010 |
| 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 | 28 | 2014 |
| 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 | 26 | 2012 |
| 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 | 25 | 2015 |
| 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 | 24 | 2014 |
| 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 | 15 | 2017 |
| 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 | 9 | 2020 |
| Understanding the anharmonic vibrational structure of the carbon dioxide dimer S Maystrovsky, M Keçeli, O Sode The Journal of Chemical Physics 150 (14), 2019 | 7 | 2019 |
| 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 | 7 | 2014 |
| 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 | 7 | 2014 |
| Theoretical investigation of the vibrational structure of the Ar–CO2 complex O Sode, J Ruiz, S Peralta Journal of Molecular Spectroscopy 380, 111512, 2021 | 4 | 2021 |
| 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 | 4 | 2017 |
| Electron correlation in solids: Delocalized and localized orbital approaches S Hirata, O Sode, M Kec Accurate Condensed-Phase Quantum Chemistry, 147-180, 2010 | 4 | 2010 |
