Wibe A. de Jong - Publications

Affiliations: 
Computational Research Division Lawrence Berkeley National Laboratory, Berkeley, CA, USA 
Area:
quantum chemistry, HPC, machine learning, quantum computing

16 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 Price AN, Gupta AK, de Jong WA, Arnold PL. Tris(carbene)borates; alternatives to cyclopentadienyls in organolanthanide chemistry. Dalton Transactions (Cambridge, England : 2003). 52: 5433-5437. PMID 37070223 DOI: 10.1039/d3dt00718a  0.323
2013 Tecmer P, Govind N, Kowalski K, de Jong WA, Visscher L. Reliable modeling of the electronic spectra of realistic uranium complexes. The Journal of Chemical Physics. 139: 034301. PMID 23883021 DOI: 10.1063/1.4812360  0.509
2010 Cho H, de Jong WA, Sattelberger AP, Poineau F, Czerwinski KR. Comprehensive solid-state NMR characterization of electronic structure in ditechnetium heptoxide. Journal of the American Chemical Society. 132: 13138-40. PMID 20806889 DOI: 10.1021/Ja105687J  0.335
2010 Groenewold GS, de Jong WA, Oomens J, Van Stipdonk MJ. Variable denticity in carboxylate binding to the uranyl coordination complexes. Journal of the American Society For Mass Spectrometry. 21: 719-27. PMID 20188585 DOI: 10.1016/J.Jasms.2010.01.021  0.364
2009 Leavitt CM, Bryantsev VS, de Jong WA, Diallo MS, Goddard WA, Groenewold GS, Van Stipdonk MJ. Addition of H2O and O2 to acetone and dimethylsulfoxide ligated uranyl(V) dioxocations. The Journal of Physical Chemistry. A. 113: 2350-8. PMID 19216506 DOI: 10.1021/Jp807651C  0.357
2008 Hammond JR, de Jong WA, Kowalski K. Coupled-cluster dynamic polarizabilities including triple excitations. The Journal of Chemical Physics. 128: 224102. PMID 18554001 DOI: 10.1063/1.2929840  0.308
2008 Bryantsev VS, de Jong WA, Cossel KC, Diallo MS, Goddard WA, Groenewold GS, Chien W, Van Stipdonk MJ. Two-electron three-centered bond in side-on (eta2) uranyl(V) superoxo complexes. The Journal of Physical Chemistry. A. 112: 5777-80. PMID 18540589 DOI: 10.1021/Jp804202Q  0.311
2008 Groenewold GS, Van Stipdonk MJ, de Jong WA, Oomens J, Gresham GL, McIlwain ME, Gao D, Siboulet B, Visscher L, Kullman M, Polfer N. Infrared spectroscopy of dioxouranium(V) complexes with solvent molecules: effect of reduction. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 1278-85. PMID 18478514 DOI: 10.1002/Cphc.200800034  0.523
2007 Groenewold GS, Oomens J, de Jong WA, Gresham GL, McIlwain ME, Van Stipdonk MJ. Vibrational spectroscopy of anionic nitrate complexes of UO22+ and Eu3+ isolated in the gas phase. Physical Chemistry Chemical Physics : Pccp. 10: 1192-202. PMID 18270621 DOI: 10.1039/B715337F  0.38
2007 Groenewold GS, Gianotto AK, Cossel KC, Van Stipdonk MJ, Oomens J, Polfer N, Moore DT, de Jong WA, McIlwain ME. Mid-infrared vibrational spectra of discrete acetone-ligated cerium hydroxide cations. Physical Chemistry Chemical Physics : Pccp. 9: 596-606. PMID 17242741 DOI: 10.1039/B613029A  0.405
2006 Groenewold GS, Gianotto AK, Cossel KC, Van Stipdonk MJ, Moore DT, Polfer N, Oomens J, de Jong WA, Visscher L. Vibrational spectroscopy of mass-selected [UO2(ligand)n]2+ complexes in the gas phase: comparison with theory. Journal of the American Chemical Society. 128: 4802-13. PMID 16594717 DOI: 10.1021/Ja058106N  0.525
2005 Dixon DA, de Jong WA, Peterson KA, Christe KO, Schrobilgen GJ. Heats of formation of xenon fluorides and the fluxionality of XeF(6) from high level electronic structure calculations. Journal of the American Chemical Society. 127: 8627-34. PMID 15954767 DOI: 10.1021/Ja0423116  0.313
2004 Hirata S, Yanai T, de Jong WA, Nakajima T, Hirao K. Third-order Douglas-Kroll relativistic coupled-cluster theory through connected single, double, triple, and quadruple substitutions: applications to diatomic and triatomic hydrides. The Journal of Chemical Physics. 120: 3297-310. PMID 15268484 DOI: 10.1063/1.1639361  0.318
2002 de Jong W, Harrison R, Nichols J, Dixon D. Fully relativistic correlated benchmark results for uranyl and a critical look at relativistic effective core potentials for uranium Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 107: 318-318. DOI: 10.1007/S00214-002-0328-Z  0.303
2000 Bagus PS, Broer R, de Jong WA, Nieuwpoort WC, Parmigiani F, Sangaletti L. Atomic many-body effects for the p-shell photoelectron spectra of transition metals. Physical Review Letters. 84: 2259-62. PMID 11017258 DOI: 10.1103/Physrevlett.84.2259  0.488
2000 Pernpointner M, Visscher L, De Jong WA, Broer R. Parallelization of Four-Component Calculations. I. Integral Generation, SCF, and Four-Index Transformation in the Dirac-Fock Package MOLFDIR Journal of Computational Chemistry. 21: 1176-1186. DOI: 10.1002/1096-987X(200010)21:13<1176::Aid-Jcc6>3.0.Co;2-E  0.455
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