| 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 | 1468 | 1999 |
| The D alton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014 | 906 | 2014 |
| Recent advances in wave function-based methods of molecular-property calculations T Helgaker, S Coriani, P Jørgensen, K Kristensen, J Olsen, K Ruud Chemical reviews 112 (1), 543-631, 2012 | 470 | 2012 |
| DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 290 | 2001 |
| Vibrational Raman optical activity calculations using London atomic orbitals T Helgaker, K Ruud, KL Bak, P Jørgensen, J Olsen Faraday Discussions 99, 165-180, 1994 | 257 | 1994 |
| Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals K Ruud, T Helgaker, R Kobayashi, P Jo/rgensen, KL Bak, HJA Jensen The Journal of chemical physics 100 (11), 8178-8185, 1994 | 250 | 1994 |
| An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules K Ruud, PO Åstrand, PR Taylor The Journal of Chemical Physics 112 (6), 2668-2683, 2000 | 229 | 2000 |
| Hartree–Fock limit magnetizabilities from London orbitals K Ruud, T Helgaker, KL Bak, P Jo/rgensen, HJA Jensen The Journal of chemical physics 99 (5), 3847-3859, 1993 | 213 | 1993 |
| Perturbation‐dependent atomic orbitals for the calculation of spin‐rotation constants and rotational g tensors J Gauss, K Ruud, T Helgaker The Journal of chemical physics 105 (7), 2804-2812, 1996 | 209 | 1996 |
| Basis-set dependence of nuclear spin-spin coupling constants T Helgaker, M Jaszuński, K Ruud, A Górska Theoretical Chemistry Accounts 99 (3), 175-182, 1998 | 206 | 1998 |
| Gauge‐origin independent multiconfigurational self‐consistent‐field theory for vibrational circular dichroism KL Bak, P Jo/rgensen, T Helgaker, K Ruud, HJA Jensen The Journal of chemical physics 98 (11), 8873-8887, 1993 | 200 | 1993 |
| Optical rotation studied by density-functional and coupled-cluster methods K Ruud, T Helgaker Chemical physics letters 352 (5-6), 533-539, 2002 | 198 | 2002 |
| Computational strategies for spectroscopy: from small molecules to nano systems V Barone John Wiley & Sons, 2011 | 180 | 2011 |
| Vibrational corrections to indirect nuclear spin–spin coupling constants calculated by density-functional theory TA Ruden, OB Lutnæs, T Helgaker, K Ruud The Journal of chemical physics 118 (21), 9572-9581, 2003 | 167 | 2003 |
| DALTON, a molecular electronic structure program H Agren, DJ Wilson, O Vahtras, PR Taylor, KO Sylvester-Hvid, ... see http://www. kjemi. uio. no/software/dalton/dalton. html: University of Oslo,, 2005 | 164 | 2005 |
| TDDFT diagnostic testing and functional assessment for triazene chromophores MJG Peach, CR Le Sueur, K Ruud, M Guillaume, DJ Tozer Physical Chemistry Chemical Physics 11 (22), 4465-4470, 2009 | 155 | 2009 |
| Место установки программы:/opt/lib/dalton/Книги и статьи:• Aidas K., Angeli C., Bak KL The Dalton quantum chemistry program system.//Wires computational molecular science, 2014 … K Aidas science 4 (3), 269-284, 2014 | 153 | 2014 |
| Arbitrary-order density functional response theory from automatic differentiation U Ekström, L Visscher, R Bast, AJ Thorvaldsen, K Ruud Journal of chemical theory and computation 6 (7), 1971-1980, 2010 | 151 | 2010 |
| CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package JF Stanton, J Gauss, L Cheng, ME Harding, DA Matthews, PG Szalay, ... With contributions from AA Auer, RJ Bartlett, U. Benedikt, C. Berger, DE …, 2010 | 147 | 2010 |
| Gauge-origin independent density-functional theory calculations of vibrational Raman optical activity K Ruud, T Helgaker, P Bouř The Journal of Physical Chemistry A 106 (32), 7448-7455, 2002 | 147 | 2002 |
Trygve HelgakerUniversity of OsloDirección de correo verificada de kjemi.uio.no
