화학공학소재연구정보센터
검색결과 : 19건
No. Article
1 Three-Chromophore Excited-State Mixed Valence
Hoekstra RM, Dibrell MM, Weaver MN, Nelsen SF, Zink JI
Journal of Physical Chemistry A, 113(2), 456, 2009
2 Assessment of the "6-31+G**+LANL2DZ" Mixed Basis Set Coupled with Density Functional Theory Methods and the Effective Core Potential: Prediction of Heats of Formation and Ionization Potentials for First-Row-Transition-Metal Complexes
Yang Y, Weaver MN, Merz KM
Journal of Physical Chemistry A, 113(36), 9843, 2009
3 Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Zn Complexes
Weaver MN, Yang Y, Merz KM
Journal of Physical Chemistry A, 113(37), 10081, 2009
4 Tuning aryl, hydrazine radical cation electronic interactions using substitutent effects
Valverde-Aguilar G, Wang XH, Plummer E, Lockard JV, Zink JI, Luo Y, Weaver MN, Nelsen SF
Journal of Physical Chemistry A, 112(32), 7332, 2008
5 Calculations of the optical spectra of hydrocarbon radical cations based on Koopmans' theorem
Nelsen SF, Weaver MN, Yamazaki D, Komatsu K, Rathore R, Bally T
Journal of Physical Chemistry A, 111(9), 1667, 2007
6 Charge localization in a 17-bond mixed-valence quinone radical anion
Nelsen SF, Weaver MN, Telo JP
Journal of Physical Chemistry A, 111(43), 10993, 2007
7 Resonance Raman de-enhancement caused by excited state mixed valence
Wang XH, Valverde-Aguilar G, Weaver MN, Nelsen SF, Zink JI
Journal of Physical Chemistry A, 111(25), 5441, 2007
8 Comparisons of measured rate constants with spectroscopically determined electron-transfer parameters
Nelsen SF, Konradsson AE, Weaver MN, Stephenson RM, Lockard JV, Zink JI, Zhao Y
Journal of Physical Chemistry B, 111(24), 6776, 2007
9 Solvent control of charge localization in 11-bond bridged dinitroaromatic radical anions
Nelsen SF, Weaver MN, Telo JP
Journal of the American Chemical Society, 129(22), 7036, 2007
10 Interpretation of unusual absorption bandwidths and resonance Raman intensities in excited state mixed valence
Lockard JV, Valverde G, Neuhauser D, Zink JI, Luo Y, Weaver MN, Nelsen SF
Journal of Physical Chemistry A, 110(1), 57, 2006