Michael N. Weaver - Publications

Affiliations: 
2006 University of Wisconsin, Madison, Madison, WI 

30/36 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
2014 Minkara MS, Ucisik MN, Weaver MN, Merz KM. Molecular Dynamics Study of Helicobacter pylori Urease. Journal of Chemical Theory and Computation. 10: 1852-1862. PMID 24839409 DOI: 10.1021/ct5000023  0.88
2013 Weaver MN, Merz KM, Ma D, Kim HJ, Gagliardi L. Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space Methods. Journal of Chemical Theory and Computation. 9. PMID 24409106 DOI: 10.1021/Ct400856G  0.88
2012 Dibrelle M, Hoekstra R, Weaver MN, Okada K, Nelsen SF, Zink JI. Excited state mixed valence in a dual-bridged three-chromophore system Journal of Physical Organic Chemistry. 25: 578-585. DOI: 10.1002/Poc.2920  0.88
2009 Hoekstra RM, Dibrell MM, Weaver MN, Nelsen SF, Zink JI. Three-chromophore excited-state mixed valence. The Journal of Physical Chemistry. A. 113: 456-63. PMID 19102623 DOI: 10.1021/Jp807940H  0.88
2008 Valverde-Aguilar G, Wang X, Plummer E, Lockard JV, Zink JI, Luo Y, Weaver MN, Nelsen SF. Tuning aryl, hydrazine radical cation electronic interactions using substituent effects. The Journal of Physical Chemistry. A. 112: 7332-41. PMID 18646735 DOI: 10.1021/Jp7120005  0.88
2007 Nelsen SF, Weaver MN, Telo JP. Charge localization in a 17-bond mixed-valence quinone radical anion. The Journal of Physical Chemistry. A. 111: 10993-7. PMID 17929791 DOI: 10.1021/Jp075788N  0.88
2007 Wang X, Valverde-Aguilar G, Weaver MN, Nelsen SF, Zink JI. Resonance Raman de-enhancement caused by excited state mixed valence. The Journal of Physical Chemistry. A. 111: 5441-7. PMID 17542568 DOI: 10.1021/Jp071203D  0.88
2007 Nelsen SF, Weaver MN, Telo JP. Solvent control of charge localization in 11-bond bridged dinitroaromatic radical anions. Journal of the American Chemical Society. 129: 7036-43. PMID 17497855 DOI: 10.1021/Ja067088M  0.88
2007 Nelsen SF, Konradsson AE, Weaver MN, Stephenson RM, Lockard JV, Zink JI, Zhao Y. Comparisons of measured rate constants with spectroscopically determined electron-transfer parameters. The Journal of Physical Chemistry. B. 111: 6776-81. PMID 17388559 DOI: 10.1021/Jp069032K  0.88
2007 Nelsen SF, Weaver MN, Yamazaki D, Komatsu K, Rathore R, Bally T. Calculations of the optical spectra of hydrocarbon radical cations based on Koopmans' theorem. The Journal of Physical Chemistry. A. 111: 1667-76. PMID 17288409 DOI: 10.1021/Jp066384I  0.88
2007 Nelsen SF, Weaver MN, Telo JP. Charge localization in a 17-bond mixed-valence quinone radical anion Journal of Physical Chemistry A. 111: 10993-10997. DOI: 10.1021/jp075788n  0.88
2007 Nelsen SF, Weaver MN, Yamazaki D, Komatsu K, Rathore R, Bally T. Calculations of the optical spectra of hydrocarbon radical cations based on Koopmans' theorem Journal of Physical Chemistry A. 111: 1667-1676. DOI: 10.1021/jp066384i  0.88
2007 Nelsen SF, Weaver MN, Telo JP. Solvent control of charge localization in 11-bond bridged dinitroaromatic radical anions Journal of the American Chemical Society. 129: 7036-7043. DOI: 10.1021/ja067088m  0.88
2006 Lockard JV, Zink JI, Luo Y, Weaver MN, Konradsson AE, Fowble JW, Nelsen SF. Excited-state mixed-valence distortions in a diisopropyl diphenyl hydrazine cation. Journal of the American Chemical Society. 128: 16524-31. PMID 17177401 DOI: 10.1021/Ja0609093  0.88
2006 Nelsen SF, Weaver MN, Luo Y, Pladziewicz JR, Ausman LK, Jentzsch TL, O'Konek JJ. Estimation of electronic coupling for intermolecular electron transfer from cross-reaction data. The Journal of Physical Chemistry. A. 110: 11665-76. PMID 17034160 DOI: 10.1021/Jp064406V  0.88
2006 Nelsen SF, Luo Y, Weaver MN, Lockard JV, Zink JI. Optical spectra of protected diamine 10-bond-bridged intervalence radical cations related to N,N,N'N'-tetraalkylbenzidine. The Journal of Organic Chemistry. 71: 4286-95. PMID 16709073 DOI: 10.1021/Jo060466L  0.88
2006 Lockard JV, Valverde G, Neuhauser D, Zink JI, Luo Y, Weaver MN, Nelsen SF. Interpretation of unusual absorption bandwidths and resonance Raman intensities in excited state mixed valence. The Journal of Physical Chemistry. A. 110: 57-66. PMID 16392840 DOI: 10.1021/Jp055880O  0.88
2006 Nelsen SF, Weaver MN, Pladziewicz JR, Ausman LK, Jentzsch TL, O'Konek JJ. Estimation of electronic coupling for intermolecular electron transfer from cross-reaction data Journal of Physical Chemistry A. 110: 11665-11676. DOI: 10.1021/Jp068111T  0.88
2006 Lockard JV, Valverde G, Neuhauser D, Zink JI, Luo Y, Weaver MN, Nelsen SF. Interpretation of unusual absorption bandwidths and resonance Raman intensities in excited state mixed valence Journal of Physical Chemistry A. 110: 57-66. DOI: 10.1021/jp055880o  0.88
2006 Nelsen SF, Luo Y, Weaver MN, Lockard JV, Zink JI. Optical spectra of protected diamine 10-bond-bridged intervalence radical cations related to N,N,N′,N′-tetraalkylbenzidine Journal of Organic Chemistry. 71: 4286-4295. DOI: 10.1021/jo060466l  0.88
2006 Nelsen SF, Weaver MN, Luo Y, Lockard JV, Zink JI. Use of the neighboring orbital model for analysis of electronic coupling in Class III intervalence compounds Chemical Physics. 324: 195-201. DOI: 10.1016/J.Chemphys.2006.01.023  0.88
2005 Lockard JV, Zink JI, Trieber Ii DA, Konradsson AE, Weaver MN, Nelsen SF. Excited-state mixed valence in a diphenyl hydrazine cation: Spectroscopic consequences of coupling and transition dipole moment orientation. The Journal of Physical Chemistry. A. 109: 1205-15. PMID 16833431 DOI: 10.1021/Jp044750X  0.88
2005 Nelsen SF, Konradsson AE, Weaver MN, Guzei IA, Goebel M, Wortmann R, Lockard JV, Zink JI. Photochemical charge separation within aromatic hydrazines and the effect of excited-state intervalence in dihydrazines. The Journal of Physical Chemistry. A. 109: 10854-61. PMID 16331928 DOI: 10.1021/Jp052702M  0.88
2005 Nelsen SF, Weaver MN, Telo JP, Lucht BL, Barlow S. Koopmans-based analysis of the optical spectra of p-phenylene-bridged intervalence radical ions. The Journal of Organic Chemistry. 70: 9326-33. PMID 16268605 DOI: 10.1021/Jo0514218  0.88
2005 Nelsen SF, Weaver MN, Zink JI, Telo JP. Optical spectra of delocalized dinitroaromatic radical anions revisited. Journal of the American Chemical Society. 127: 10611-22. PMID 16045349 DOI: 10.1021/Ja051178U  0.88
2005 Nelsen SF, Weaver MN, Zink JI, Telo JP. Optical spectra of delocalized dinitroaromatic radical anions revisited Journal of the American Chemical Society. 127: 10611-10622. DOI: 10.1021/ja051178u  0.88
2004 Nelsen SF, Weaver MN, Konradsson AE, Telo JP, Clark T. Electron transfer within 2,7-dinitronaphthalene radical anion. Journal of the American Chemical Society. 126: 15431-8. PMID 15563170 DOI: 10.1021/Ja046566V  0.88
2003 Lockard JV, Zink JI, Konradsson AE, Weaver MN, Nelsen SF. Spectroscopic consequences of a mixed valence excited state: quantitative treatment of a dihydrazine diradical dication. Journal of the American Chemical Society. 125: 13471-80. PMID 14583043 DOI: 10.1021/Ja036046K  0.88
2003 Nelsen SF, Konradsson AE, Weaver MN, Telo JP. Intervalence near-IR spectra of delocalized dinitroaromatic radical anions. Journal of the American Chemical Society. 125: 12493-501. PMID 14531693 DOI: 10.1021/Ja036066M  0.88
2001 Weaver MN, Janicki SZ, Petillo PA. Ab initio calculation of inner-sphere reorganization energies of arenediazonium ion couples Journal of Organic Chemistry. 66: 1138-1145. PMID 11312940 DOI: 10.1021/jo0011742  0.88
Low-probability matches
2015 Minkara MS, Weaver MN, Gorske J, Bowers CR, Merz KM. Implementation of Protocols To Enable Doctoral Training in Physical and Computational Chemistry of a Blind Graduate Student. Journal of Chemical Education. 92: 1280-1283. PMID 26300560 DOI: 10.1021/ed5009552  0.88
2015 Minkara MS, Weaver MN, Merz KM. Effect of 10.5 M Aqueous Urea on Helicobacter pylori Urease: A Molecular Dynamics Study. Biochemistry. 54: 4121-30. PMID 26057619 DOI: 10.1021/acs.biochem.5b00078  0.88
2010 Peters MB, Yang Y, Wang B, Füsti-Molnár L, Weaver MN, Merz KM. Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF). Journal of Chemical Theory and Computation. 6: 2935-2947. PMID 20856692 DOI: 10.1021/ct1002626  0.01
2009 Weaver MN, Merz KM. Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Cu Complexes. Molecular Physics. 107: 1251-1259. PMID 20556234 DOI: 10.1080/00268970902953596  0.01
2009 Weaver MN, Yang Y, Merz KM. Assessment of the CCSD and CCSD(T) coupled-cluster methods in calculating heats of formation for Zn complexes. The Journal of Physical Chemistry. A. 113: 10081-8. PMID 19691272 DOI: 10.1021/jp904241v  0.01
2009 Yang Y, Weaver MN, Merz KM. Assessment of the "6-31+G** + LANL2DZ" mixed basis set coupled with density functional theory methods and the effective core potential: prediction of heats of formation and ionization potentials for first-row-transition-metal complexes. The Journal of Physical Chemistry. A. 113: 9843-51. PMID 19691271 DOI: 10.1021/jp807643p  0.01
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