Berta Fernández Rodríguez
Berta Fernández Rodríguez
Physical Chemistry Department. University of Santiago de Compostela
Verified email at usc.es
Title
Cited by
Cited by
Year
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
851*2014
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
2882001
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
1511998
Ground state benzene–argon intermolecular potential energy surface
H Koch, B Fernández, J Makarewicz
The Journal of chemical physics 111 (1), 198-204, 1999
901999
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
841999
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
742001
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
732004
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
662001
DALTON, an electronic structure program, Release 1.2
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Agren, ...
Dalton, 2001
662001
The importance of high-order correlation effects for the CO–CO interaction potential
M Rode, J Sadlej, R Moszynski, PES Wormer, A van der Avoird
Chemical physics letters 314 (3-4), 326-332, 1999
621999
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
601997
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
581999
Theoretical thermochemistry. The enthalpies of formation of some XHn and XYHn compounds
M Sana, G Leroy
Journal of Molecular Structure: THEOCHEM 226 (3-4), 307-325, 1991
571991
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
562002
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
532002
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
512001
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
501999
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
492005
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
481992
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014)
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
47
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