Publications (318)

A1 Journal article (refereed)

A 2,3-dialkoxynaphthalene-based naphthocage (2020)

Chemical Communications, 56 (6), 888-891, http://doi.org/10.1039/C9CC09585C, OA

Lu, Song-Bo; Chai, Hongxin; Ward, Jas S.; Quan, Mao; Zhang, Jin; Rissanen, Kari; Luo, Ray; Yang, Liu-Pan; Jiang, Wei

A1 Journal article (refereed)

A 2-level anisotropic electronic system in superfluid 4He (2005)

Journal of Low Temperature Physics, Journal of Low Temperature Physics, 138, 91-,

Lehtovaara, Lauri; Eloranta, Jussi

A1 Journal article (refereed)

Ab initio and molecular-dynamics studies on rare gas hydrides: Potential energy curves, isotropic hyperfine properties, and matrix cage trapping of atomic hydrogen (1999)

The Journal of Chemical Physics, 110 (24), 11814-22,

Kiljunen, Toni; Kunttu, Henrik; Eloranta, Jussi

A1 Journal article (refereed)

Ab initio computational study on the lattice thermal conductivity of Zintl clathrates [Si19P4]Cl4 and Na4[Al4Si19] (2016)

Physical Review B, 94 (5), 054310, http://doi.org/10.1103/PhysRevB.94.054310, OA

Härkönen, Ville; Karttunen, Antti J.

A1 Journal article (refereed)

Ab initio lattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion (2014)

PHYSICAL REVIEW B, 89 (2), http://doi.org/10.1103/PhysRevB.89.024305, OA

Härkönen, Ville; Karttunen, Antti

A1 Journal article (refereed)

Ab initio molecular dynamics studies of Au38(SR)24 isomers under heating (2019)

European Physical Journal D, 73 (3), 62, http://doi.org/10.1140/epjd/e2019-90441-5, OA

Juarez Mosqueda, Rosalba; Malola, Sami; Häkkinen, Hannu

A1 Journal article (refereed)

Ab initio molecular dynamics study of overtone excitations in formic acid and its water complex (2018)

Theoretical Chemistry Accounts, 137 (7), 100, http://doi.org/10.1007/s00214-018-2280-6

Järvinen, Teemu; Lundell, Jan; Dopieralski, Przemysław

A1 Journal article (refereed)

Ab Initio molecular orbital study of SenS4-nN4 (n=0-4) (1995)

Journal of Molecular Structure (Theochem), 358 (-), 55,

Suontamo, Reijo; Laitinen, Risto

A1 Journal article (refereed)

Ab Initio MO Study of Silver Ion Complexation in [2.2.2]Cyclophane pii-Prismands. (2000)

Organometallics, 19 (12), 2346-2353,

Saarenketo, Pauli; Suontamo, Reijo; Jödicke, Tim; Rissanen, Kari

A1 Journal article (refereed)

Ab initio studies on the lattice thermal conductivity of silicon clathrate frameworks II and VIII (2016)

Physical Review B, 93 (2), 024307, http://doi.org/10.1103/PhysRevB.93.024307, OA

Härkönen, Ville; Karttunen, Antti J.