| 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 | 1510* | 2014 |
| DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 351 | 2001 |
| The benzene–argon complex: A ground and excited state ab initio study H Koch, B Fernández, O Christiansen The Journal of chemical physics 108 (7), 2784-2790, 1998 | 161 | 1998 |
| Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals TB Pedersen, B Fernández, H Koch The Journal of chemical physics 114 (16), 6983-6993, 2001 | 101 | 2001 |
| The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability … C Hättig, H Larsen, J Olsen, P Jo/rgensen, H Koch, B Fernández, A Rizzo The Journal of Chemical Physics 111 (22), 10099-10107, 1999 | 97 | 1999 |
| Ground state benzene–argon intermolecular potential energy surface H Koch, B Fernández, J Makarewicz The Journal of chemical physics 111 (1), 198-204, 1999 | 96 | 1999 |
| Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon J López Cacheiro, B Fernández, D Marchesan, S Coriani, C Hättig, ... Molecular Physics 102 (1), 101-110, 2004 | 94 | 2004 |
| The helium–, neon–, and argon–cyclopropane van der Waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics TB Pedersen, B Fernández, H Koch, J Makarewicz The Journal of Chemical Physics 115 (18), 8431-8439, 2001 | 90 | 2001 |
| Dalton, an ab initio electronic structure program, Release 1.0 (1997) T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... See http://www. kjemi. uio. no/software/dalton/dalton. html, 1997 | 79 | 1997 |
| DALTON, an electronic structure program, Release 1.2 T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... University of Oslo, Norway, 1999 | 77 | 1999 |
| The effect of intermolecular interactions on the electric properties of helium and argon. III. Quantum statistical calculations of the dielectric second virial coefficients A Rizzo, C Hättig, B Fernández, H Koch The Journal of chemical physics 117 (6), 2609-2618, 2002 | 69 | 2002 |
| The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients H Koch, C Hättig, H Larsen, J Olsen, P Jo/rgensen, B Fernández, A Rizzo The Journal of Chemical Physics 111 (22), 10108-10118, 1999 | 67 | 1999 |
| 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 | 66 | 2005 |
| Rovibrational structure of the Ar–CO complex based on a novel three-dimensional ab initio potential T Bondo Pedersen, J López Cacheiro, B Fernández, H Koch The Journal of chemical physics 117 (14), 6562-6572, 2002 | 61 | 2002 |
| Spin polarization in restricted electronic structure theory: Multiconfiguration self‐consistent‐field calculations of hyperfine coupling constants B Fernandez, P Jo/rgensen, J Byberg, J Olsen, T Helgaker, HJA Jensen The Journal of chemical physics 97 (5), 3412-3419, 1992 | 57 | 1992 |
| Self-assembly of cyclodextrin complexes: effect of temperature, agitation and media composition on aggregation M Messner, SV Kurkov, MM Palazón, BÁ Fernández, ME Brewster, ... International Journal of Pharmaceutics 419 (1-2), 322-328, 2011 | 54 | 2011 |
| Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of Ar2 B Fernández, C Hättig, H Koch, A Rizzo The Journal of chemical physics 110 (6), 2872-2882, 1999 | 53 | 1999 |
| DALTON, an ab initio electronic structure program, Release 1.2 T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... See http://www. kjemi. uio. no/software/dalton/dalton. html, 2001 | 52 | 2001 |
| Predicting the helical sense of poly (phenylacetylene) s from their electron circular dichroism spectra B Fernández, R Rodríguez, A Rizzo, E Quiñoá, R Riguera, F Freire Angewandte Chemie International Edition 57 (14), 3666-3670, 2018 | 51 | 2018 |
| Ab initio ground-and excited-state intermolecular potential energy surfaces for the NO–Ne and NO–Ar van der Waals complexes H Cybulski, B Fernandez The Journal of Physical Chemistry A 116 (27), 7319-7328, 2012 | 51 | 2012 |
Thomas Bondo PedersenHylleraas Centre for Quantum Molecular Sciences, Dept. of Chemistry, University of OsloVerified email at kjemi.uio.no