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
1425 * 2014 DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
350 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
159 1998 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
95 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
95 1999 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
94 2001 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
93 2004 The helium–, neon–, and argon–cyclopropane van der Waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular … 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
78 1997 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
76 2005 DALTON, an electronic structure program, Release 1.2 T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Dalton, 2001
76 2001 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
70 2001 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
65 1999 Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014) K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
65 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
60 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 Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of B Fernández, C Hättig, H Koch, A Rizzo
The Journal of chemical physics 110 (6), 2872-2882, 1999
53 1999 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
50 2012 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
48 2011 
Thomas Bondo PedersenHylleraas Centre for Quantum Molecular Sciences, Dept. of Chemistry, University of Osloبريد إلكتروني تم التحقق منه على kjemi.uio.no
