Title: Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology Author(s): Wong, KF; Sonnenberg, JL; Paesani, F; et al. Source: Journal of Chemical Theory and Computation Volume: 6 Issue: 9 Pages: 2566-2580 Published: SEP 2010 Times Cited: 5 DOI: 10.1021/ct900579k
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Title: Theoretical Studies of An(2)(II)(C8H8)(2) (An = Th, Pa, U, and Np) Complexes: The Search for Double-Stuffed Actinide Metallocenes Author(s): Zhou, J; Sonnenberg, JL; Schlegel, HB Source: Inorganic Chemistry Volume: 49 Issue: 14 Pages: 6545-6551 Published: JUL 19 2010 Times Cited: 0 DOI: 10.1021/ic100427t
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Title: Distributed Gaussian Valence Bond Surface Derived from Ab Initio Calculations Author(s): SONNENBERG, JL; WONG, KF; VOTH, GA; et al. Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 5 Issue: 4 Pages: 949-961 Published: APR 2009 Times Cited: 5 DOI: 10.1021/ct800477y
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Title: A definitive example of a geometric "entatic state" effect: Electron-transfer kinetics for a copper(II/I) complex involving a quinquedentate macrocyclic trithiaether-bipyridine ligand Author(s): CHAKA, G; SONNENBERG, JL; SCHLEGEL, HB; et al. Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 129 Issue: 16 Pages: 5217-5227 Published: APR 25 2007 Times Cited: 13 DOI: 10.1021/ja068960u
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Title: Automated approach to couple solubility with final pH and crystallinity for pharmaceutical discovery compounds Author(s): SEADEEK, C; ANDO, H; BHATTACHAR, SN; et al. Source: JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS Volume: 43 Issue: 5 Pages: 1660-1666 Published: APR 11 2007 Times Cited: 9 DOI: 10.1016/j.jpba.2006.12.024
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Title: Empirical valence bond models for reactive potential energy surfaces. II. Intramolecular proton transfer in pyridone and the Claisen reaction of allyl vinyl ether Author(s): SONNENBERG, JL; SCHLEGEL, HB Source: MOLECULAR PHYSICS Volume: 105 Issue: 19-22 Pages: 2719-2729 Published: 2007 Times Cited: 7 DOI: 10.1080/00268970701622277
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Title: Empirical valence-bond models for reactive potential energy surfaces using distributed Gaussians Author(s): SCHLEGEL, HB; SONNENBERG, JL Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 2 Issue: 4 Pages: 905-911 Published: JUL 11 2006 Times Cited: 23 DOI: 10.1021/ct600084p
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Title: Theoretical investigation of uranyl dihydroxide: Oxo ligand exchange, water catalysis, and vibrational spectra Author(s): HRATCHIAN, HP; SONNENBERG, JL; HAY, PJ; et al. Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 109 Issue: 38 Pages: 8579-8586 Published: SEP 29 2005 Times Cited: 13 DOI: 10.1021/jp052616m
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Title: Theoretical investigations of uranyl-ligand bonding: Four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes Author(s): SONNENBERG, JL; HAY, PJ; MARTIN, RL; et al. Source: INORGANIC CHEMISTRY Volume: 44 Issue: 7 Pages: 2255-2262 Published: APR 4 2005 Times Cited: 48 DOI: 10.1021/ic048567u
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Title: Density and wave function analysis of actinide complexes: What can fuzzy atom, atoms-in-molecules, Mulliken, Lowdin, and natural population analysis tell us? Author(s): CLARK, AE; SONNENBERG, JL; HAY, PJ; et al. Source: JOURNAL OF CHEMICAL PHYSICS Volume: 121 Issue: 6 Pages: 2563-2570 Published: AUG 8 2004 Times Cited: 36 DOI: 10.1063/1.1766292
