Investigations of the hydrogen bond in the crystals of tropolone and thiotropolone via car-parrinello and path integral molecular dynamics

von Durlak, Piotr
Veröffentlicht in: Journal of computational chemistry (2019)

Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO

von Berski, Slawomir
Veröffentlicht in: Journal of computational chemistry (2011)

Ab initio and quantum chemical topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT

von Berski, Slawomir
Veröffentlicht in: Journal of computational chemistry (2010)

The structure and chemical bonding in the N(2)-CuX and N(2)...XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methods

von Kisowska, Karolina
Veröffentlicht in: Journal of computational chemistry (2008)

The hydroperoxy radical as a hydrogen bond acceptor. HOO-HCl complexes--Ab initio study

von Bil, Andrzej
Veröffentlicht in: Journal of computational chemistry (2006)