Crystal Field Splittings in Lanthanide Complexes: Inclusion of Correlation Effects beyond Second Order Perturbation Theory. Journal of chemical theory and computation, (14)8:3998-4009, American Chemical Society, 2018. [PUMA: mult ubs_10003 ubs_20003 ubs_30035 ubs_30039 ubs_40059 ubs_40066 unibibliografie wos]
Thermotropic MIDA Boronates as a Case Study for the Role of Dipolar Interactions in Liquid Crystalline Self-Assembly. Chemistry - a European journal, (23)17:4149-4159, Wiley-VCH, 2017. [PUMA: mult ubs_10003 ubs_20003 ubs_30034 ubs_30035 ubs_30039 ubs_40058 ubs_40066 unibibliografie wos]
Orientational distribution functions and order parameters in "de Vries"-type smectics: A simulation study. Journal of chemical physics, (145)13:134901, AIP, 2016. [PUMA: mult ubs_10003 ubs_20003 ubs_30035 ubs_30039 ubs_40060 ubs_40061 ubs_40066 unibibliografie wos]
Fast and reliable ab initio calculation of crystal field splittings in lanthanide complexes. The journal of chemical physics, (147)16:164101, AIP, 2017. [PUMA: mult ubs_10003 ubs_20003 ubs_30035 ubs_30039 ubs_40059 ubs_40066 unibibliografie wos]
Toward fast and accurate ab initio calculation of magnetic exchange in polynuclear lanthanide complexes. Physical Chemistry, Chemical Physics, (21)19:9769-9778, RSC Publ., 2019. [PUMA: mult ubs_10003 ubs_20003 ubs_30035 ubs_30039 ubs_40059 ubs_40066 unibibliografie wos]