Perturbational ab initio calculations of relativistic contributions to nuclear magnetic resonance shielding tensors P Manninen, P Lantto, J Vaara, K Ruud
The Journal of chemical physics 119 (5), 2623-2637, 2003
147 2003 Leading-order relativistic effects on nuclear magnetic resonance shielding tensors P Manninen, K Ruud, P Lantto, J Vaara
The Journal of chemical physics 122 (11), 2005
130 2005 Linear-scaling implementation of molecular electronic self-consistent field theory P Sałek, S Høst, L Thøgersen, P Jørgensen, P Manninen, J Olsen, ...
The Journal of chemical physics 126 (11), 2007
107 2007 Systematic Gaussian basis‐set limit using completeness‐optimized primitive sets. A case for magnetic properties P Manninen, J Vaara
Journal of computational chemistry 27 (4), 434-445, 2006
105 2006 Scaling and diabatic effects in quantum annealing with a D-Wave device P Weinberg, M Tylutki, JM Rönkkö, J Westerholm, JA Åström, P Manninen, ...
Physical Review Letters 124 (9), 090502, 2020
59 2020 Coupled-cluster theory in a projected atomic orbital basis O Christiansen, P Manninen, P Jørgensen, J Olsen
The Journal of chemical physics 124 (8), 2006
57 2006 Perturbational calculations of parity-violating effects in nuclear-magnetic-resonance parameters V Weijo, P Manninen, J Vaara
The Journal of chemical physics 123 (5), 2005
46 2005 NMR tensors in planar hydrocarbons of increasing size S Ikäläinen, P Lantto, P Manninen, J Vaara
Physical Chemistry Chemical Physics 11 (48), 11404-11414, 2009
41 2009 Laser-induced nuclear magnetic resonance splitting in hydrocarbons S Ikäläinen, P Lantto, P Manninen, J Vaara
The Journal of Chemical Physics 129 (12), 2008
37 2008 General biorthogonal projected bases as applied to second-order Møller-Plesset perturbation theory V Weijo, P Manninen, P Jørgensen, O Christiansen, J Olsen
The Journal of chemical physics 127 (7), 2007
34 2007 Perturbational and ECP calculation of relativistic effects in NMR shielding and spin–spin coupling J Vaara, P Manninen, P Lantto
Calculation of NMR and EPR Parameters: Theory and Applications, 209-226, 2004
33 2004 Magnetic-field dependence of nuclear magnetic shielding in Co(III) complexes P Manninen, J Vaara
Physical Review A 69 (2), 022503, 2004
33 2004 Contraction of completeness-optimized basis sets: Application to ground-state electron momentum densities S Lehtola, P Manninen, M Hakala, K Hämäläinen
The Journal of chemical physics 138 (4), 2013
30 2013 Methodological aspects in the calculation of parity-violating effects in nuclear magnetic resonance parameters V Weijo, R Bast, P Manninen, T Saue, J Vaara
The Journal of chemical physics 126 (7), 2007
30 2007 Completeness-optimized basis sets: Application to ground-state electron momentum densities J Lehtola, P Manninen, M Hakala, K Hämäläinen
The Journal of chemical physics 137 (10), 2012
29 2012 Magnetic field dependence of nuclear magnetic shielding in closed-shell atomic systems J Vaara, P Manninen, J Lounila
Chemical physics letters 372 (5-6), 750-757, 2003
29 2003 Perturbational relativistic theory of electron spin resonance -tensor P Manninen, J Vaara, K Ruud
The Journal of chemical physics 121 (3), 1258-1265, 2004
22 2004 Comment on “Calculation of nuclear magnetic shieldings using an analytically differentiated relativistic shielding formula”[J. Chem. Phys. 123, 114102 (2005)] P Manninen, J Vaara
The Journal of chemical physics 124 (13), 2006
17 2006 Vibrational effects in the parity-violating contributions to the isotropic nuclear magnetic resonance chemical shift V Weijo, MB Hansen, O Christiansen, P Manninen
Chemical Physics Letters 470 (4-6), 166-171, 2009
13 2009 Magnetic-field-induced quadrupole coupling in the nuclear magnetic resonance of noble-gas atoms and molecules P Manninen, J Vaara, P Pyykkö
Physical Review A 70 (4), 043401, 2004
11 2004