| 1 |
Assignment of the 6,6'-Dioxo-3,3'-biverdazyl Ground State by Using Broken Symmetry and Spectroscopy Oriented Configuration Interaction Techniques
Mattar SM, Dokainish HM
Journal of Physical Chemistry A, 114(4), 2010, 2010 |
| 2 |
Effects of Restricted Rotations and Dynamic Averaging on the Calculated Isotropic Hyperfine Coupling Constants of the bis-Dimethyl and bis-Di(trifluoromethyl) Nitroxide Radicals
Mattar SM, Sanford J
Journal of Physical Chemistry A, 113(42), 11435, 2009 |
| 3 |
Magneto-Structural Relationships for Radical Cation and Neutral Pyridinophane Structures with Intrabridgehead Nitrogen Atoms. An Integrated Experimental and Quantum Mechanical Study
Williams F, Chen GF, Mattar SM, Scudder PH, Trieber DA, Saven JG, Whritenour DC, Cimino P, Barone V
Journal of Physical Chemistry B, 113(26), 9026, 2009 |
| 4 |
Accurate calculation of the phenyl radical's magnetic inequivalency, relative orientations of its spin hamiltonian tensors, and its electronic spectrum
Mattar SM
Journal of Physical Chemistry A, 111(2), 251, 2007 |
| 5 |
g Tensor computation of the thlopheno-1,3,2-dithiazolyl radical by the coupled-perturbed Kohn-Sham hybrid density functional method
Mattar SM, Sanford J, Goodfellow AD
Chemical Physics Letters, 418(1-3), 30, 2006 |
| 6 |
Effects of restricted rotations and solvents on the calculated 2,2'-diphenyl-l-picrylhydrazyl g tensors
Mattar SM, Sanford J
Chemical Physics Letters, 425(1-3), 148, 2006 |
| 7 |
Assignment of the benzo-1,2 : 4,5-bis(1,3,2-dithiazolyl) ground state using the broken symmetry technique
Mattar SM
Chemical Physics Letters, 427(4-6), 438, 2006 |
| 8 |
Toward a more general synthetic route to paramagnetic solids containing RCNSSS center dot+ radical cations. A structure-property correlation for RCNSSS center dot+ (R = F5C2, Cl3C)
Decken A, Mattar SM, Passmore J, Shuvaev KV, Thompson LK
Inorganic Chemistry, 45(10), 3878, 2006 |
| 9 |
g-Tensor calculations of bicyclic 1,3,2-dithiazolyl radicals using the coupled-perturbed Kohn-Sham UB1LYP and UPBE0 hybrid density functionals
Mattar SM
Chemical Physics Letters, 405(4-6), 382, 2005 |
| 10 |
Spectroscopic studies of the intermediates in the conversion of 1,4,11,12-tetrahydro-9,10-anthraquinone to 9,10-anthraquinone by reaction with oxygen under basic conditions
Mattar SM, Emwas AH, Calhoun LA
Journal of Physical Chemistry A, 108(52), 11545, 2004 |
