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Berta Fernández Rodríguez
Berta Fernández Rodríguez
Physical Chemistry Department. University of Santiago de Compostela
Verified email at usc.es
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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
1225*2014
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jřrgensen, J Olsen, K Ruud, H Ĺgren, ...
Release 1, 63, 2001
3072001
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
1551998
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
911999
Ground state benzene–argon intermolecular potential energy surface
H Koch, B Fernández, J Makarewicz
The Journal of chemical physics 111 (1), 198-204, 1999
911999
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
872001
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
842001
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
832004
Dalton, an ab initio electronic structure program, Release 1.0 (1997)
T Helgaker, HJA Jensen, P Jřrgensen, J Olsen, K Ruud, H Ĺgren, ...
See http://www. kjemi. uio. no/software/dalton/dalton. html, 1997
801997
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
692005
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
672002
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014)
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
63
Dalton
T Helgaker, HJA Jensen, P Jřrgensen, J Olsen, K Ruud, H Aagren, ...
An ab initio electronic structure program, release 1, 1997
611997
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
601999
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
572002
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
531992
DALTON, an ab initio electronic structure program, Release 1.2
T Helgaker, HJA Jensen, P Jřrgensen, J Olsen, K Ruud, H Ĺgren, ...
See http://www. kjemi. uio. no/software/dalton/dalton. html, 2001
522001
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
511999
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
472012
Benzene-argon intermolecular potential energy surface
B Fernández, H Koch, J Makarewicz
The Journal of chemical physics 111 (13), 5922-5928, 1999
451999
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