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Physical Review. E|September 19, 2023
Electronic structure calculations with interpolating tensor product wavelet basisTommi Höynälänmaa, Tapio T RantalaThe Journal of Chemical Physics|September 22, 2011
First-principles simulation of molecular dissociation-recombination equilibriumIlkka Kylänpää, Tapio T RantalaThe Journal of Chemical Physics|August 7, 2010
Finite temperature quantum statistics of H(3) (+) molecular ionIlkka Kylänpää, Tapio T RantalaThe Journal of Chemical Physics|December 3, 2017
Static field-gradient polarizabilities of small atoms and molecules at finite temperatureJuha Tiihonen, Ilkka Kylänpää, Tapio T RantalaJournal of Chemical Theory and Computation|October 3, 2018
Computation of Dynamic Polarizabilities and van der Waals Coefficients from Path-Integral Monte CarloJuha Tiihonen, Ilkka Kylänpää, Tapio T RantalaPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|February 9, 2005
Solution of atomic orbitals in an interpolating wavelet basisTommi Höynälänmaa, Tapio T Rantala, Keijo RuotsalainenPhysical Chemistry Chemical Physics : PCCP|June 12, 2024
Electronic structures of three anchors of triphenylamine on a p-type nickel oxide(100) surface: density functional theory with periodic modelsOuti V Kontkanen, Terttu I Hukka, Tapio T RantalaJournal of Computational Chemistry|November 7, 2008
Ab initio description of photoabsorption and electron transfer in a doubly-linked porphyrin-fullerene dyadOana Cramariuc, Terttu I Hukka, Tapio T Rantala, et al.The Journal of Physical Chemistry. A|November 10, 2006
TD-DFT description of photoabsorption and electron transfer in a covalently bonded porphyrin-fullerene dyadOana Cramariuc, Terttu I Hukka, Tapio T Rantala, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2005
Molecular simulations for the conformational assessment of a porphyrin-fullerene dyad in different environmentsKirsi Tappura, Oana Cramariuc, Terttu I Hukka, et al.Pageof 2