Role of OH Termination in Mitigating Friction of Diamond-like Carbon under High Load A Joint Simulation and Experimental Study

von Wang, Yang
Veröffentlicht in: Langmuir : the ACS journal of surfaces and colloids (2021)

Trajectory on-the-fly molecular dynamics approach to tunneling splitting in the electronic excited state A case of tropolone

von Ootani, Yusuke
Veröffentlicht in: Journal of computational chemistry (2020)

Theoretical investigation of enantioselectivity of cage-like supramolecular assembly the insights into the shape complementarity and host-guest interaction

von Ootani, Yusuke
Veröffentlicht in: Journal of computational chemistry (2015)

Ab initio molecular dynamics approach to tunneling splitting in polyatomic molecules

von Ootani, Yusuke
Veröffentlicht in: Journal of computational chemistry (2012)