Small molecules have several advantages for high-efficiency organic photovoltaic(PV) because of their well-defined structures,definite molecular weight,and high
Trajectory-based fewest-switches surface-hopping(FSSH) dynamics simulations have become a popular and reliable theoretical tool to simulate nonadiabatic photoph
The effect of substituents on photophysical properties of 2-(2-hydroxyphenyl)benzoxazole(HBO)has been systematically investigated by means of density functional
Strong electron correlation is at the heart of chemical bonding.The intuitive picture is provided by General Valence Bond(GVB) theory,describing the chemical bo
This poster reports the development and implementation of a local variant of Mukherjees state specific multireference coupled cluster method [1] based on the pa
Watasenia scintillans(firefly squid) is a deep-sea luminous squid whose bioluminescence(BL) reaction is archetypal for numerous marine organisms,notably coelent
More than 60 years ago,the segmental structures of α-helices and β-strands in proteins were first reported and described by Pauling and Corey [1,2] based on c