화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Tunable Fictitious Substituent Effects on the pi-pi Interactions of Substituted Sandwich Benzene Dimers
Garcia AM, Determan JJ, Janesko BG
Journal of Physical Chemistry A, 118(18), 3344, 2014
2 Influence of the Alkyl Substituents Spacing on the Solar Cell Performance of Benzodithiophene Semiconducting Polymers
Sista P, Xue BF, Wilson M, Holmes N, Kularatne RS, Nguyen H, Dastoor PC, Belcher W, Poole K, Janesko BG, Biewer MC, Stefan MC
Macromolecules, 45(2), 772, 2012
3 Synthesis, Characterization, and Computational Modeling of Benzodithiophene Donor-Acceptor Semiconducting Polymers
Sista P, Hao J, Elkassih S, Sheina EE, Biewer MC, Janesko BG, Stefan MC
Journal of Polymer Science Part A: Polymer Chemistry, 49(19), 4172, 2011
4 Evaluation of Range-Separated Hybrid and Other Density Functional Approaches on Test Sets Relevant for Transition Metal-Based Homogeneous Catalysts
Jimenez-Hoyos CA, Janesko BG, Scuseria GE
Journal of Physical Chemistry A, 113(43), 11742, 2009
5 Range Separation and Local Hybridization in Density Functional Theory
Henderson TM, Janesko BG, Scuseria GE
Journal of Physical Chemistry A, 112(49), 12530, 2008
6 Interactions of Ibuprofen with Hybrid Lipid Bilayers Probed by Complementary Surface-Enhanced Vibrational Spectroscopies
Levin CS, Kundu J, Janesko BG, Scuseria GE, Raphael RM, Halas NJ
Journal of Physical Chemistry B, 112(45), 14168, 2008
7 Observing Metal-Catalyzed Chemical Reactions in Situ Using Surface-Enhanced Raman Spectroscopy on Pd-Au Nanoshells
Heck KN, Janesko BG, Scuseria GE, Halas NJ, Wong MS
Journal of the American Chemical Society, 130(49), 16592, 2008
8 Using molecular similarity to construct accurate semiempirical electronic structure theories
Janesko BG, Yaron D
Journal of Chemical Physics, 121(12), 5635, 2004
9 Explicitly correlated divide-and-conquer-type electronic structure calculations based on two-electron reduced density matrices
Janesko BG, Yaron D
Journal of Chemical Physics, 119(3), 1320, 2003
10 Using constrained Schrodinger equations to separate resonant and inductive substituent effects: A new methodology for parametrizing simple models in chemistry
Janesko BG, Gallek CJ, Yaron D
Journal of Physical Chemistry A, 107(10), 1655, 2003