Ab initio methods for the calculation of NMR shielding and indirect spin-spin coupling constants T Helgaker, M Jaszunski, K Ruud Chemical Reviews 99, 293-352, 1999 | 1708 | 1999 |
The quantum-chemical calculation of NMR indirect spin–spin coupling constants T Helgaker, M Jaszuński, M Pecul Progress in Nuclear Magnetic Resonance Spectroscopy 53 (4), 249-268, 2008 | 313 | 2008 |
Basis-set dependence of nuclear spin-spin coupling constants T Helgaker, M Jaszuński, K Ruud, A Górska Theoretical Chemistry Accounts 99, 175-182, 1998 | 219 | 1998 |
Electric field dependence of magnetic properties: Multiconfigurational self‐consistent field calculations of hypermagnetizabilities and nuclear shielding polarizabilities of N2 … A Rizzo, T Helgaker, K Ruud, A Barszczewicz, M Jaszuński, P Jo/rgensen The Journal of chemical physics 102 (22), 8953-8966, 1995 | 102 | 1995 |
Intraatomic correlation effects for the He–He dispersion and exchange–dispersion energies using explicitly correlated Gaussian geminals S Rybak, K Szalewicz, B Jeziorski, M Jaszunski The Journal of chemical physics 86 (10), 5652-5659, 1987 | 95 | 1987 |
An ab initio study of the non-linear optical properties of the He atom and the H2 molecule M Jaszuński, BO Roos Molecular Physics 52 (5), 1209-1224, 1984 | 90 | 1984 |
Alternative approach to the standardization of NMR spectra. Direct measurement of nuclear magnetic shielding in molecules K Jackowski, M Jaszuński, M Wilczek The Journal of Physical Chemistry A 114 (7), 2471-2475, 2010 | 84 | 2010 |
Nuclear magnetic dipole moments from NMR spectra A Antušek, K Jackowski, M Jaszuński, W Makulski, M Wilczek Chemical physics letters 411 (1-3), 111-116, 2005 | 78 | 2005 |
The NMR indirect nuclear spin–spin coupling constants for some small rigid hydrocarbons: molecular equilibrium values and vibrational corrections TA Ruden, T Helgaker, M Jaszuński Chemical physics 296 (1), 53-62, 2004 | 77 | 2004 |
A CASSCF study of the potential curves for the X 1Σ+, B 1Σ+, and A 1Π states of the BH molecule M Jaszuński, BO Roos, PO Widmark The Journal of Chemical Physics 75 (1), 306-314, 1981 | 71 | 1981 |
Spin–spin coupling constants and triplet instabilities in Kohn–Sham theory OB Lutnæs, T Helgaker, M Jaszuński Molecular Physics 108 (19-20), 2579-2590, 2010 | 64 | 2010 |
On the performance of bond functions and basis set extrapolation techniques in high-accuracy calculations of interatomic potentials. A helium dimer study M Jeziorska, R Bukowski, W Cencek, M Jaszuński, B Jeziorski, ... Collection of Czechoslovak chemical communications 68 (3), 463-488, 2003 | 64 | 2003 |
The determination of accurate nuclear magnetic dipole moments and direct measurement of NMR shielding constants M Jaszuński, A Antušek, P Garbacz, K Jackowski, W Makulski, M Wilczek Progress in Nuclear Magnetic Resonance Spectroscopy 67, 49-63, 2012 | 63 | 2012 |
Time-dependent Hartree-Fock calculations of dispersion energy M Jaszunski, R McWeeny Molecular Physics 55 (6), 1275-1286, 1985 | 63 | 1985 |
An analysis and implementation of a general coupled cluster approach to excitation energies with application to the molecule K Hald, P Jørgensen, J Olsen, M Jaszuński The Journal of Chemical Physics 115 (2), 671-679, 2001 | 59 | 2001 |
Density-Functional and Coupled-Cluster Singles-and-Doubles Calculations of the Nuclear Shielding and Indirect Nuclear Spin− Spin Coupling Constants of o-Benzyne T Helgaker, OB Lutnæs, M Jaszuński Journal of Chemical Theory and Computation 3 (1), 86-94, 2007 | 56 | 2007 |
Helium dimer interaction energies from Gaussian geminal and orbital calculations W Cencek, M Jeziorska, R Bukowski, M Jaszuński, B Jeziorski, ... The Journal of Physical Chemistry A 108 (15), 3211-3224, 2004 | 56 | 2004 |
NMR Shielding Constants in PH3, Absolute Shielding Scale, and the Nuclear Magnetic Moment of 31P P Lantto, K Jackowski, W Makulski, M Olejniczak, M Jaszuński The Journal of Physical Chemistry A 115 (38), 10617-10623, 2011 | 53 | 2011 |
The calculation of indirect nuclear spin–spin coupling constants in large molecules MA Watson, P Sałek, P Macak, M Jaszuński, T Helgaker Chemistry–A European Journal 10 (18), 4627-4639, 2004 | 51 | 2004 |
Ab initio study of magnetochiral birefringence S Coriani, M Pecul, A Rizzo, P Jørgensen, M Jaszuński The Journal of chemical physics 117 (14), 6417-6428, 2002 | 49 | 2002 |