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Malmqvist, Per-Åke
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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