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George Schoendorff, Ph.D. - Publications

Affiliations: 
2012 Chemistry Iowa State University, Ames, IA, United States 
Area:
Quantum Theory
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27 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
2023 Nakamura T, Dangi BB, Wu L, Zhang Y, Schoendorff G, Gordon MS, Yang DS. Spin-orbit coupling of electrons on separate lanthanide atoms of Pr2O2 and its singly charged cation. The Journal of Chemical Physics. 159. PMID 38131482 DOI: 10.1063/5.0185579  0.482
2023 Zahariev F, Xu P, Westheimer BM, Webb S, Galvez Vallejo J, Tiwari A, Sundriyal V, Sosonkina M, Shen J, Schoendorff G, Schlinsog M, Sattasathuchana T, Ruedenberg K, Roskop LB, Rendell AP, et al. The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures. Journal of Chemical Theory and Computation. 19: 7031-7055. PMID 37793073 DOI: 10.1021/acs.jctc.3c00379  0.557
2022 Zhang Y, Nakamura T, Wu L, Cao W, Schoendorff G, Gordon MS, Yang DS. Electronic states and transitions of PrO and PrO probed by threshold ionization spectroscopy and spin-orbit multiconfiguration perturbation theory. The Journal of Chemical Physics. 157: 114304. PMID 36137790 DOI: 10.1063/5.0113741  0.512
2022 Wu L, Schoendorff G, Zhang Y, Roudjane M, Gordon MS, Yang DS. Excited states of lutetium oxide and its singly charged cation. The Journal of Chemical Physics. 156: 084303. PMID 35232202 DOI: 10.1063/5.0084483  0.403
2022 Schoendorff G, Boatz JA. Segmented correlation consistent basis sets for the 4d and 5d transition metals. The Journal of Chemical Physics. 156: 064102. PMID 35168333 DOI: 10.1063/5.0080377  0.302
2021 Schoendorff G, Ruedenberg K, Gordon MS. Multiple Bonding in Rhodium Monoboride. Quasi-atomic Analyses of the Ground and Low-Lying Excited States. The Journal of Physical Chemistry. A. 125: 4836-4846. PMID 34042447 DOI: 10.1021/acs.jpca.1c02860  0.49
2019 Schoendorff G, Schmidt MW, Ruedenberg K, Gordon MS. Quasi-Atomic Bond Analyses in the Sixth Period: II. Bond Analyses of Cerium Oxides. The Journal of Physical Chemistry. A. PMID 31199636 DOI: 10.1021/Acs.Jpca.9B04024  0.498
2019 Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Gordon MS. Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon. The Journal of Physical Chemistry. A. PMID 31199630 DOI: 10.1021/Acs.Jpca.9B04023  0.584
2017 Aebersold LE, Yuwono SH, Schoendorff G, Wilson AK. Efficacy of Density Functionals and Relativistic Effective Core Potentials for Lanthanide-Containing Species: The Ln54 Molecule Set. Journal of Chemical Theory and Computation. PMID 28485982 DOI: 10.1021/Acs.Jctc.6B01223  0.633
2017 Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Wilson AK, Gordon MS. Relativistic Ab Initio Accurate Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for The Elements Li - Xe. The Journal of Physical Chemistry. A. PMID 28406302 DOI: 10.1021/Acs.Jpca.7B01916  0.687
2016 Grimmel S, Schoendorff G, Wilson AK. Gauging the performance of density functionals for lanthanide-containing molecules. Journal of Chemical Theory and Computation. PMID 26848891 DOI: 10.1021/Acs.Jctc.5B01193  0.624
2016 South C, Schoendorff G, Wilson AK. Dissociation energy and electronic structure of the low valent lanthanide compound NdF+ International Journal of Quantum Chemistry. 116: 791-794. DOI: 10.1002/Qua.25128  0.775
2015 Schoendorff G, Morris AR, Hu ED, Wilson AK. A Computational Study on the Ground and Excited States of Nickel Silicide. The Journal of Physical Chemistry. A. 119: 9630-5. PMID 26301835 DOI: 10.1021/Acs.Jpca.5B05661  0.644
2015 Schoendorff G, Chi B, Ajieren H, Wilson AK. Ground and excited electronic state analysis of PrF²⁺ and PmF²⁺. The Journal of Physical Chemistry. A. 119: 1683-8. PMID 25397590 DOI: 10.1021/Jp5083399  0.595
2015 Weber R, Hovda B, Schoendorff G, Wilson AK. Behavior of the Sapporo-nZP-2012 basis set family Chemical Physics Letters. 637: 120-126. DOI: 10.1016/J.Cplett.2015.08.007  0.733
2014 Schoendorff G, Wilson AK. Low valency in lanthanides: a theoretical study of NdF and LuF. The Journal of Chemical Physics. 140: 224314. PMID 24929395 DOI: 10.1063/1.4882135  0.641
2014 South C, Schoendorff G, Wilson AK. MR-ccCA: A route for accurate ground and excited state potential energy curves and spectroscopic properties for third-row diatomic molecules Computational and Theoretical Chemistry. 1040: 72-83. DOI: 10.1016/J.Comptc.2014.04.013  0.765
2013 Schoendorff G, South C, Wilson AK. A neoteric neodymium model: ground and excited electronic state analysis of NdF2+. The Journal of Physical Chemistry. A. 117: 10881-8. PMID 24050437 DOI: 10.1021/Jp404654D  0.773
2013 Oyedepo GA, Peterson C, Schoendorff G, Wilson AK. Spectroscopic properties of Ar(x)-Zn and Ar(x)-Ag(+) (x = 1,2) van der Waals complexes. The Journal of Chemical Physics. 138: 104116. PMID 23514474 DOI: 10.1063/1.4792144  0.708
2013 Figg TM, Schoendorff G, Chilukuri B, Cundari TR. Structure and bonding of palladium oxos as possible intermediates in metal-carbon oxy insertion reactions Organometallics. 32: 4993-4996. DOI: 10.1021/Om400290R  0.553
2012 Rios D, Schoendorff G, Van Stipdonk MJ, Gordon MS, Windus TL, Gibson JK, de Jong WA. Roles of acetone and diacetone alcohol in coordination and dissociation reactions of uranyl complexes. Inorganic Chemistry. 51: 12768-75. PMID 23146003 DOI: 10.1021/Ic3015964  0.454
2011 Schoendorff G, de Jong WA, Van Stipdonk MJ, Gibson JK, Rios D, Gordon MS, Windus TL. On the formation of "hypercoordinated" uranyl complexes. Inorganic Chemistry. 50: 8490-3. PMID 21823574 DOI: 10.1021/Ic201080Z  0.465
2011 Schoendorff G, de Jong WA, Van Stipdonk MJ, Gibson JK, Rios D, Gordon MS, Windus TL. Correction to On the Formation of “Hypercoordinated” Uranyl Complexes Inorganic Chemistry. 50: 11846-11846. DOI: 10.1021/Ic202173R  0.415
2010 Schoendorff G, de Jong WA, Gordon MS, Windus TL. Gas phase computational studies on the competition between nitrile and water ligands in uranyl complexes. The Journal of Physical Chemistry. A. 114: 8902-12. PMID 20608719 DOI: 10.1021/Jp103227X  0.433
2010 Song J, Parker M, Schoendorff G, Kus A, Vaziri M. A study on the electronic and structural properties of fullerene C30 and azafullerene C18N12 Journal of Molecular Structure: Theochem. 942: 71-76. DOI: 10.1016/J.Theochem.2009.11.040  0.39
2009 Schoendorff G, Windus TL, de Jong WA. Density functional studies on the complexation and spectroscopy of uranyl ligated with acetonitrile and acetone derivatives. The Journal of Physical Chemistry. A. 113: 12525-31. PMID 19572680 DOI: 10.1021/Jp9038623  0.355
2009 Pawlikowski AV, Gray TS, Schoendorff G, Baird B, Ellern A, Windus TL, Sadow AD. Structure, bonding, and ligand-based reactions of zwitterionic boratoiridium(I) complexes with oxazolinyl scorpionate ligands Inorganica Chimica Acta. 362: 4517-4525. DOI: 10.1016/J.Ica.2009.06.017  0.39
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