| 1 |
d-Orbital effects on stereochemical non-rigidity: Twisted Ti-IV intramolecular dynamics
Davis AV, Firman TK, Hay BP, Raymond KN
Journal of the American Chemical Society, 128(29), 9484, 2006 |
| 2 |
Conformational analysis and rotational barriers of alkyl- and phenyl-substituted urea derivatives
Bryantsev VS, Firman TK, Hay BP
Journal of Physical Chemistry A, 109(5), 832, 2005 |
| 3 |
Structural design criteria for anion hosts: Strategies for achieving anion shape recognition through the complementary placement of urea donor groups
Hay BP, Firman TK, Moyer BA
Journal of the American Chemical Society, 127(6), 1810, 2005 |
| 4 |
Search for improved host architectures: Application of de novo structure-based design and high-throughput screening methods to identify optimal building blocks for multidentate ethers
Hay BP, Oliferenko AA, Uddin J, Zhang CG, Firman TK
Journal of the American Chemical Society, 127(48), 17043, 2005 |
| 5 |
HostDesigner: A program for the de novo structure-based design of molecular receptors with binding sites that complement metal ion guests
Hay BP, Firman TK
Inorganic Chemistry, 41(21), 5502, 2002 |
| 6 |
Modeling the dynamic equilibrium between oligomers of (AlOCH3)(n) in methylaluminoxane (MAO). A theoretical study based on a combined quantum mechanical and statistical mechanical approach
Zurek E, Woo TK, Firman TK, Ziegler T
Inorganic Chemistry, 40(2), 361, 2001 |
| 7 |
Valence bond concepts applied to the molecular mechanics description of molecular shapes. 4. Transition metals with pi-bonds
Firman TK, Landis CR
Journal of the American Chemical Society, 123(47), 11728, 2001 |
| 8 |
Valence bond concepts applied to the molecular mechanics description of molecular shapes. 3. Applications to transition metal alkyls and hydrides
Landis CR, Cleveland T, Firman TK
Journal of the American Chemical Society, 120(11), 2641, 1998 |
| 9 |
Structure and electron counting in ternary transition metal hydrides
Firman TK, Landis CR
Journal of the American Chemical Society, 120(48), 12650, 1998 |
| 10 |
A valence bond perspective on the molecular shapes of simple metal alkyls and hydrides
Landis CR, Firman TK, Root DM, Cleveland T
Journal of the American Chemical Society, 120(8), 1842, 1998 |
