Year |
Citation |
Score |
2010 |
Wong KF, Sonnenberg JL, Paesani F, Yamamoto T, Vaní?ek J, Zhang W, Schlegel HB, Case DA, Cheatham TE, Miller WH, Voth GA. Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology. Journal of Chemical Theory and Computation. 6: 2566-2580. PMID 21116485 DOI: 10.1021/Ct900579K |
0.584 |
|
2010 |
Zhou J, Sonnenberg JL, Schlegel HB. Theoretical studies of An(II)(2)(C(8)H(8))(2) (An = Th, Pa, U, and Np) complexes: the search for double-stuffed actinide metallocenes. Inorganic Chemistry. 49: 6545-51. PMID 20545320 DOI: 10.1021/Ic100427T |
0.525 |
|
2009 |
Sonnenberg JL, Wong KF, Voth GA, Schlegel HB. Distributed Gaussian Valence Bond Surface Derived from Ab Initio Calculations. Journal of Chemical Theory and Computation. 5: 949-961. PMID 26609604 DOI: 10.1021/Ct800477Y |
0.582 |
|
2009 |
Sonnenberg JL, Wong KF, Voth GA, Schlegel HB. Distributed gaussian valence bond surface derived from Ab initio calculations Journal of Chemical Theory and Computation. 5: 949-961. DOI: 10.1021/ct800477y |
0.513 |
|
2007 |
Chaka G, Sonnenberg JL, Schlegel HB, Heeg MJ, Jaeger G, Nelson TJ, Ochrymowycz LA, Rorabacher DB. 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. Journal of the American Chemical Society. 129: 5217-27. PMID 17391036 DOI: 10.1021/Ja068960U |
0.552 |
|
2007 |
Sonnenberg JL, Schlegel HB. Empirical valence bond models for reactive potential energy surfaces. II. Intramolecular proton transfer in pyridone and the Claisen reaction of allyl vinyl ether Molecular Physics. 105: 2719-2729. DOI: 10.1080/00268970701622277 |
0.58 |
|
2006 |
Schlegel HB, Sonnenberg JL. Empirical Valence-Bond Models for Reactive Potential Energy Surfaces Using Distributed Gaussians. Journal of Chemical Theory and Computation. 2: 905-11. PMID 26633049 DOI: 10.1021/Ct600084P |
0.547 |
|
2006 |
Schlegel HB, Sonnenberg JL. Empirical valence-bond models for reactive potential energy surfaces using distributed Gaussians Journal of Chemical Theory and Computation. 2: 905-911. DOI: 10.1021/ct600084p |
0.484 |
|
2005 |
Hratchian HP, Sonnenberg JL, Hay PJ, Martin RL, Bursten BE, Schlegel HB. Theoretical investigation of uranyl dihydroxide: oxo ligand exchange, water catalysis, and vibrational spectra. The Journal of Physical Chemistry. A. 109: 8579-86. PMID 16834257 DOI: 10.1021/Jp052616M |
0.641 |
|
2005 |
Sonnenberg JL, Hay PJ, Martin RL, Bursten BE. Theoretical investigations of uranyl-ligand bonding: four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes. Inorganic Chemistry. 44: 2255-62. PMID 15792460 DOI: 10.1021/ic048567u |
0.649 |
|
2004 |
Clark AE, Sonnenberg JL, Hay PJ, Martin RL. Density and wave function analysis of actinide complexes: what can fuzzy atom, atoms-in-molecules, Mulliken, Lowdin, and natural population analysis tell us? The Journal of Chemical Physics. 121: 2563-70. PMID 15281854 DOI: 10.1063/1.1766292 |
0.653 |
|
2002 |
Sonnenberg JL, Milletti MC. Ab initio investigation of the synthesis of (3-(2,3,4,5-tetramethylcyclopentadienyl)propoxy)titanium dichloride Polyhedron. 21: 2699-2704. DOI: 10.1016/S0277-5387(02)01269-X |
0.657 |
|
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