Publications: 2011
346. Schlegel, H. B.; Geometry Optimization, WIREs Comput. Mol.
Sci. 2011, 1, 790-806 (10.1002/wcms.34)
347. Lesh, F. D.; Allard,
M. M.; Shanmugam, R.; Hryhorczuk, L. M.; Endicott, J.
F.; Schlegel, H. B.; Verani, C.; Investigation of the Electronic, Photosubstitution, Redox, and Surface Properties of New
Ruthenium(II)-Containing Amphiphiles. Inorg. Chem. 2011, 50, 969-977 (10.1021/ic1015934).
348. Sonk, J. A.; Caricato, M.; Schlegel, H. B.; TD-CI Simulation of the
Electronic Optical Response of Molecules in Intense Fields: Comparison of RPA,
CIS, CIS(D) and EOM-CCSD J. Phys. Chem. A 2011, 115, 4678-4690 (10.1021/jp107384p)
349. Zhou, J.; Schlegel, H. B.; Dissociation of H2NCH
Dication in a Strong Laser Field. J.
Phys. Chem. A 2011, 115, 8375-8379 (10.1021/jp204264e)
350. Sonk, J. A.;
Schlegel, H. B.; TD-CI Simulation of the Electronic Optical Response of
Molecules in Intense Fields: Comparison of DFT Functionals and EOM-CCSD. J. Phys. Chem. A 2011, 115, 11832-11840 (10.1021/jp206437s)
351. Tsai, C.-N.; Allard, M. M.; Lord, R. L.; Luo,
D.-W.; Chen, Y.-J.; Schlegel, H. B.; Endicott, J. F.; Characterization of Low
Energy Charge Transfer Transitions in (terpyridine)(bipyridine)Ruthenium(II)
Complexes and their Cyanide-Bridged Bi- and Tri-Metallic Analogues. Inorg. Chem. 2011, 50, 11965-11977 (10.1021/ic2010387)