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: 38 DOI: 10.1021/ic048567u
added
01-May-08
2.
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: 26 DOI: 10.1063/1.1766292
added
01-May-08
3.
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: 20 DOI: 10.1021/ct600084p
added
01-May-08
4.
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: 12 DOI: 10.1021/jp052616m
added
01-May-08
5.
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: 10 DOI: 10.1021/ja068960u
added
01-May-08
6.
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: 6 DOI: 10.1016/j.jpba.2006.12.024
added
01-May-08
7.
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: 5 DOI: 10.1080/00268970701622277
added
01-May-08
8.
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: 1 DOI: 10.1021/ct800477y
added
08-Jan-10
9.
Title: Ab initio investigation of the synthesis of (3-(2,3,4,5-tetramethylcyclopentadienyl)propoxy)titanium dichloride Author(s): SONNENBERG, JL; MILLETTI, MC Source: POLYHEDRON Volume: 21 Issue: 27-28 Pages: 2699-2704 Published: DEC 15 2002 Times Cited: 0 DOI: PII S0277-5387(02)01269-X
