Adjusting the Local Arrangement of π-Stacked Oligothiophenes through Hydrogen Bonds: A Viable Route to Promote Charge Transfer

由 Liu, Hongguang, Brémond, Éric, Prlj, Antonio, Gonthier, Jérôme F., Corminboeuf, Clémence
發表在 J Phys Chem Lett (2014)

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

由 Parrish, Robert M, Burns, Lori A, Smith, Daniel G A, Simmonett, Andrew C, DePrince, A Eugene, Hohenstein, Edward G, Bozkaya, Uğur, Sokolov, Alexander Yu, Remigio, Roberto Di, Richard, Ryan M, Gonthier, Jérôme F., James, Andrew M, McAlexander, Harley R, Kumar, Ashutosh, Saitow, Masaaki, Wang, Xiao, Pritchard, Benjamin P, Verma, Prakash, Schaefer, Henry F, Patkowski, Konrad, King, Rollin A, Valeev, Edward F, Evangelista, Francesco A, Turney, Justin M, Crawford, T Daniel, Sherrill, C David
發表在 J Chem Theory Comput (2017)