화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Experimental and First-Principles NMR Analysis of Pt(II) Complexes With O,O'-Dialkyldithiophosphate Ligands
Roukala J, Orr ST, Hanna JV, Vaara J, Ivanov AV, Antzutkin ON, Lantto P
Journal of Physical Chemistry A, 120(42), 8326, 2016
2 Encapsulation of Xenon by a Self-Assembled Fe4L6 Metallosupramolecular Cage
Roukala J, Zhu JF, Giri C, Rissanen K, Lantto P, Telkki VV
Journal of the American Chemical Society, 137(7), 2464, 2015
3 NMR Shielding Constants in PH3, Absolute Shielding Scale, and the Nuclear Magnetic Moment of P-31
Lantto P, Jackowski K, Makulski W, Olejniczak M, Jaszunski M
Journal of Physical Chemistry A, 115(38), 10617, 2011
4 Toward calculations of the Xe-129 chemical shift in Xe@C-60 at experimental conditions: Relativity, correlation, and dynamics
Straka M, Lantto P, Vaara J
Journal of Physical Chemistry A, 112(12), 2658, 2008
5 Nuclear magnetic resonance chemical shifts and quadrupole couplings for different hydrogen-bonding cases occurring in liquid water: A computational study
Pennanen TS, Lantto P, Sillanpaa AJ, Vaara J
Journal of Physical Chemistry A, 111(1), 182, 2007
6 Calculation of binary magnetic properties and potential energy curve in xenon dimer: Second virial coefficient of Xe-129 nuclear shielding
Hanni M, Lantto P, Runeberg N, Jokisaari J, Vaara J
Journal of Chemical Physics, 121(12), 5908, 2004
7 Nuclear magnetic shielding and quadrupole coupling tensors in liquid water: A combined molecular dynamics simulation and quantum chemical study
Pennanen TS, Vaara J, Lantto P, Sillanpaa AJ, Laasonen K, Jokisaari J
Journal of the American Chemical Society, 126(35), 11093, 2004
8 Perturbational ab initio calculations of relativistic contributions to nuclear magnetic resonance shielding tensors
Manninen P, Lantto P, Vaara J, Ruud K
Journal of Chemical Physics, 119(5), 2623, 2003
9 Spin-spin coupling tensors by density-functional linear response theory
Lantto P, Vaara J, Helgaker T
Journal of Chemical Physics, 117(13), 5998, 2002
10 Relativistic spin-orbit coupling effects on secondary isotope shifts of C-13 nuclear shielding in CX2 (X = O, S, Se, Te)
Lantto P, Vaara J, Kantola AM, Telkki VV, Schimmelpfennig B, Ruud K, Jokisaari J
Journal of the American Chemical Society, 124(11), 2762, 2002