검색결과 : 31건
| No. | Article |
|---|---|
| 1 |
Accurate theoretical predictions for carbonyl diazide molecules: A coupled-cluster study of the potential energy surface and thermochemical properties Napolion B, Watts JD, Huang MJ, McFarland FM, McClendon EE, Walters WL, Williams QL Chemical Physics Letters, 559, 18, 2013 |
| 2 |
Binding of O-2 and NO to Heme in Heme-Nitric Oxide/Oxygen-Binding (H-NOX) Proteins. A Theoretical Study Liao MS, Huang MJ, Watts JD Journal of Physical Chemistry B, 117(35), 10103, 2013 |
| 3 |
Size dependent nonlinear optical properties of silver quantum clusters (vol 512, pg 92, 2011) Khan SA, Senapathi D, Senapathi T, Liao MS, Bonifassi P, Fan Z, Singh AK, Neeley A, Hill G, Huang MJ, Watts JD, Ray PC Chemical Physics Letters, 516(1-3), 112, 2011 |
| 4 |
Theoretical Investigation into the Structural, Thermochemical, and Electronic Properties of the Decathio[10]circulene Napolion B, Hagelberg F, Huang MJ, Watts JD, Simeon TM, Vereen D, Walters WL, Williams QL Journal of Physical Chemistry A, 115(31), 8682, 2011 |
| 5 |
Iron Porphyrins with Different Imidazole Ligands. A Theoretical Comparative Study Liao MS, Huang MJ, Watts JD Journal of Physical Chemistry A, 114(35), 9554, 2010 |
| 6 |
Theoretical Characterization of the F2O3 Molecule by Coupled-Cluster Methods Huang MJ, Watts JD Journal of Physical Chemistry A, 114(37), 10197, 2010 |
| 7 |
Structure, Bonding, and Linear Optical Properties of a Series of Silver and Gold Nanorod Clusters: DFT/TDDFT Studies Liao MS, Bonifassi P, Leszczynski J, Ray PC, Huang MJ, Watts JD Journal of Physical Chemistry A, 114(48), 12701, 2010 |
| 8 |
Theoretical Study of the Tautomerism, Structures, and Vibrational Frequencies of the Phosphaalkenes XP=C(CH3)(2) (X = H, F, Cl, Br, OH, Ar-F (Ar-F=2,6-(CF3)(2)C6H3)) Watts JD, Watts DJ, Huang MJ Journal of Physical Chemistry A, 113(10), 1886, 2009 |
| 9 |
Coupled-cluster study of isomers of H2SO2 Napolion B, Huang MJ, Watts JD Journal of Physical Chemistry A, 112(17), 4158, 2008 |
| 10 |
Electronic structure of some substituted iron(II) porphyrins. Are they intermediate or high spin? Liao MS, Watts JD, Huang MJ Journal of Physical Chemistry A, 111(26), 5927, 2007 |