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The Journal of Physical Chemistry. A|December 19, 2007
Electronic ground state of higher acenesDe-en Jiang, Sheng DaiInorganic Chemistry|February 25, 2009
From superatomic Au25(SR)18(-) to superatomic M@Au24(SR)18(q) core-shell clustersDe-en Jiang, Sheng DaiThe Journal of Physical Chemistry. B|July 31, 2008
First principles molecular dynamics simulation of a task-specific ionic liquid based on silver-olefin complex: atomistic insights into a separation processDe-en Jiang, Sheng DaiPhysical Chemistry Chemical Physics : PCCP|September 24, 2009
Cis-trans conversion of the CH3S-Au-SCH3 complex on Au(111)De-en Jiang, Sheng DaiPhysical Chemistry Chemical Physics : PCCP|November 11, 2010
The role of low-coordinate oxygen on Co3O4(110) in catalytic CO oxidationDe-en Jiang, Sheng DaiThe Journal of Physical Chemistry. B|February 19, 2014
Solubility of gases in a common ionic liquid from molecular dynamics based free energy calculationsHongjun Liu, Sheng Dai, De-en JiangThe Journal of Physical Chemistry. B|July 5, 2011
Understanding the high solubility of CO2 in an ionic liquid with the tetracyanoborate anionRavichandar Babarao, Sheng Dai, De-en JiangLangmuir : the ACS Journal of Surfaces and Colloids|March 1, 2011
Functionalizing porous aromatic frameworks with polar organic groups for high-capacity and selective CO2 separation: a molecular simulation studyRavichandar Babarao, Sheng Dai, De-en JiangPhysical Chemistry Chemical Physics : PCCP|September 29, 2022
First-principles molecular dynamics simulations of UCl<sub></sub>-MgCl<sub>2</sub> (<i>n</i> = 3, 4) molten saltsBo Li, Sheng Dai, De-En JiangNanoscale|August 31, 2013
Insights into CO2/N2 separation through nanoporous graphene from molecular dynamicsHongjun Liu, Sheng Dai, De-en JiangPageof 103