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Malmqvist, Per-Åke
126
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Online (126)
Mediatypes
E-Books (1)
Articles (Online) (91)
Bookchapter (Online) (2)
OpenAccess-fulltext (32)
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1
Non-radiative decay and fragmentation in water molecules af..:
Sankari, Anna
;
Stråhlman, Christian
;
Sankari, Rami
...
The Journal of Chemical Physics. 152 (2020) 7 - p. 074302 , 2020
Link:
https://doi.org/10.1063/..
?
2
Influence of the choice of projection manifolds in the CASP..:
Yanai, Takeshi
;
Kurashige, Yuki
;
Saitow, Masaaki
...
Molecular Physics. 115 (2016) 17-18 - p. 2077-2085 , 2016
Link:
https://doi.org/10.1080/..
?
3
Superior Photoprotective Motifs and Mechanisms in Eumelanin..:
Corani, Alice
;
Huijser, Annemarie
;
Gustavsson, Thomas
...
Journal of the American Chemical Society. 136 (2014) 33 - p. 11626-11635 , 2014
Link:
https://doi.org/10.1021/..
?
4
Infrared Spectra and Quantum Chemical Calculations of the U..:
Wang, Xuefeng
;
Andrews, Lester
;
Malmqvist, Per-Åke
...
Journal of the American Chemical Society. 132 (2010) 24 - p. 8484-8488 , 2010
Link:
https://doi.org/10.1021/..
?
5
Experimental and Theoretical Investigation of Simple Termin..:
Wang, Xuefeng
;
Andrews, Lester
;
Knitter, Marta
..
The Journal of Physical Chemistry A. 113 (2009) 21 - p. 6064-6069 , 2009
Link:
https://doi.org/10.1021/..
?
6
Electric multipole moment fluctuations in polar liquids:
Stenhammar, Joakim
;
Linse, Per
;
Malmqvist, Per-Åke
.
The Journal of Chemical Physics. 130 (2009) 12 - p. , 2009
Link:
https://doi.org/10.1063/..
?
7
New Relativistic Atomic Natural Orbital Basis Sets for Lant..:
Roos, Björn O.
;
Lindh, Roland
;
Malmqvist, Per-Åke
...
The Journal of Physical Chemistry A. 112 (2008) 45 - p. 11431-11435 , 2008
Link:
https://doi.org/10.1021/..
?
8
Cholesky Decomposition-Based Multiconfiguration Second-Orde..:
Aquilante, Francesco
;
Malmqvist, Per-Åke
;
Pedersen, Thomas Bondo
..
Journal of Chemical Theory and Computation. 4 (2008) 5 - p. 694-702 , 2008
Link:
https://doi.org/10.1021/..
?
9
Infrared Spectrum and Bonding in Uranium Methylidene Dihydr..:
Lyon, Jonathan T.
;
Andrews, Lester
;
Malmqvist, Per-Åke
...
Inorganic Chemistry. 46 (2007) 12 - p. 4917-4925 , 2007
Link:
https://doi.org/10.1021/..
?
10
Exploring the Actinide−Actinide Bond: Theoretical Studies ..:
Roos, Björn O.
;
Malmqvist, Per-Åke
;
Gagliardi, Laura
Journal of the American Chemical Society. 128 (2006) 51 - p. 17000-17006 , 2006
Link:
https://doi.org/10.1021/..
?
11
New Relativistic ANO Basis Sets for Transition Metal Atoms:
Roos, Björn O.
;
Lindh, Roland
;
Malmqvist, Per-Åke
..
The Journal of Physical Chemistry A. 109 (2005) 29 - p. 6575-6579 , 2005
Link:
https://doi.org/10.1021/..
?
12
New relativistic ANO basis sets for actinide atoms:
Roos, Björn O.
;
Lindh, Roland
;
Malmqvist, Per-Åke
..
Chemical Physics Letters. 409 (2005) 4-6 - p. 295-299 , 2005
Link:
https://doi.org/10.1016/..
?
13
A modified definition of the zeroth-order Hamiltonian in mu..:
Ghigo, Giovanni
;
Roos, Björn O.
;
Malmqvist, Per-Åke
Chemical Physics Letters. 396 (2004) 1-3 - p. 142-149 , 2004
Link:
https://doi.org/10.1016/..
?
14
Using on-top pair density for construction of correlation f..:
Gusarov, Sergey
;
Malmqvist *, Per-Åke
;
Lindh, Roland
Molecular Physics. 102 (2004) 21-22 - p. 2207-2216 , 2004
Link:
https://doi.org/10.1080/..
?
15
MOLCAS: a program package for computational chemistry:
Karlström, Gunnar
;
Lindh, Roland
;
Malmqvist, Per-Åke
...
Computational Materials Science. 28 (2003) 2 - p. 222-239 , 2003
Link:
https://doi.org/10.1016/..
1-15