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51

The CASSCF state interaction method

Per-Åke Malmqvist, Björn O. Roos

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 604 KB

english, 1989

52

A theoretical study of the low-lying excited states of ozone

Piotr Borowski, Markus Fülscher, Per-Åke Malmqvist, Björn O. Roos

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 689 KB

english, 1995

53

An ab initio calculation of the rotation-vibration energies of the X̃2Σ+ state of CCH using the nonrigid bender Hamiltonian

W.P Kraemer, B.O Roos, P.R Bunker, Per Jensen

Journal:

Journal of Molecular Spectroscopy

Year:

1986

Language:

english

File:

PDF, 185 KB

english, 1986

54

Ab initio rotation-vibration energies and intensities for the HNC+ molecule

W.P Kraemer, Per Jensen, B.O Roos, P.R Bunker

Journal:

Journal of Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 1.24 MB

english, 1992

55

An MC-SCF computation scheme for large scale calculations on polyatomic systems

Jan Almöf, Björn Roos, Per Siegbahn

Journal:

Computers & Chemistry

Year:

1978

Language:

english

File:

PDF, 715 KB

english, 1978

56

Theoretical studies on the stability of the H3O radical based on ab initio UHF-CI calculations

Kerstin S.E. Niblaeus, Björn O. Roos, Per E.M. Siegbahn

Journal:

Chemical Physics

Year:

1977

Language:

english

File:

PDF, 619 KB

english, 1977

57

UHF-CI studies of energy barriers for the abstraction and exchange reactions in the system H + CH4

Kerstin Niblaeus, Björn O. Roos, Per E.M. Siegbahn

Journal:

Chemical Physics

Year:

1977

Language:

english

File:

PDF, 1.13 MB

english, 1977

58

A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

Björn O. Roos, Peter R. Taylor, Per E.M. Si≐gbahn

Journal:

Chemical Physics

Year:

1980

Language:

english

File:

PDF, 1.61 MB

english, 1980

59

A simple method for the evaluation of the second-order-perturbation energy from external double-excitations with a CASSCF reference wavefunction

Björn O. Roos, Per Linse, Per E.M. Siegbahn, Margareta R.A. Blomberg

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 930 KB

english, 1982

60

MCSCF and multi-reference CI calculations of the potential energy surface for ground state H2O

Wolfgang P. Kraemer, Björn O. Roos, Per E.M. Siegbahn

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 1.44 MB

english, 1982

61

An ab initio quantum chemical study of vertically excited singlet states of pyrimidine

Per-Åke Malmqvist, Björn O. Roos, Markus P. Fülscher, Alistair P. Rendell

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 839 KB

english, 1992

62

Determination of plutonium isotopes in waters and environmental solids: A review

Jixin Qiao, Xiaolin Hou, Manuel Miró, Per Roos

Journal:

Analytica Chimica Acta

Year:

2009

Language:

english

File:

PDF, 664 KB

english, 2009

63

Rapid isolation of plutonium in environmental solid samples using sequential injection anion exchange chromatography followed by detection with inductively coupled plasma mass spectrometry

Jixin Qiao, Xiaolin Hou, Per Roos, Manuel Miró

Journal:

Analytica Chimica Acta

Year:

2011

Language:

english

File:

PDF, 877 KB

english, 2011

64

Distribution of Np and Pu in Swedish lichen samples (Cladonia stellaris) contaminated by atmospheric fallout

Patric Lindahl, Per Roos, Mats Eriksson, Elis Holm

Journal:

Journal of Environmental Radioactivity

Year:

2004

Language:

english

File:

PDF, 142 KB

english, 2004

65

Studies of Np and Pu in the marine environment of Swedish–Danish waters and the North Atlantic Ocean

Patric Lindahl, Per Roos, Elis Holm, Henning Dahlgaard

Journal:

Journal of Environmental Radioactivity

Year:

2005

Language:

english

File:

PDF, 448 KB

english, 2005

66

Arbuscular mycorrhizas contribute to phytostabilization of uranium in uranium mining tailings

Baodong Chen, Per Roos, Yong-Guan Zhu, Iver Jakobsen

Journal:

Journal of Environmental Radioactivity

Year:

2008

Language:

english

File:

PDF, 291 KB

english, 2008

67

The restricted active space (RAS) state interaction approach with spin–orbit coupling

Per Åke Malmqvist, Björn O. Roos, Bernd Schimmelpfennig

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 153 KB

english, 2002

68

Colloid dynamics and transport of major elements through a boreal river — brackish bay mixing zone

Örjan Gustafsson, Anders Widerlund, Per S Andersson, Johan Ingri, Per Roos, Anna Ledin

Journal:

Marine Chemistry

Year:

2000

Language:

english

File:

PDF, 561 KB

english, 2000

69

Ageing of solar booster reflector materials

Per Nostell, Arne Roos, Björn Karlsson

Journal:

Solar Energy Materials and Solar Cells

Year:

1998

Language:

english

File:

PDF, 183 KB

english, 1998

70

Antireflection of glazings for solar energy applications

Per Nostell, Arne Roos, Björn Karlsson

Journal:

Solar Energy Materials and Solar Cells

Year:

1998

Language:

english

File:

PDF, 292 KB

english, 1998

71

The development of perinatal audit: 20 years' experience

Per BergsjØ, Leiv S. Bakketeig, Jens Langhoff-Roos

Journal:

Acta Obstetricia et Gynecologica Scandinavica

Year:

2003

Language:

english

File:

PDF, 88 KB

english, 2003

72

Associations of Fetuin-A levels with vascular disease in type 2 diabetes patients with early diabetic nephropathy

Marcel Roos, Dimitrios Oikonomou, Maximilian von Eynatten, Peter B Luppa, Uwe Heemann, Jens Lutz, Marcus Baumann, Peter P Nawroth, Angelika Bierhaus, Per M Humpert

Journal:

Cardiovascular Diabetology

Year:

2010

Language:

english

File:

PDF, 485 KB

english, 2010

73

2MOLCAS as a development platform for quantum chemistry software

Valera Veryazov, Per-Olof Widmark, Luis Serrano-Andrés, Roland Lindh, Björn O. Roos

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 97 KB

english, 2004

74

How to select active space for multiconfigurational quantum chemistry?

Valera Veryazov, Per Åke Malmqvist, Björn O. Roos

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 197 KB

english, 2011

75

A direct CI method with a multiconfigurational reference state

Björn O. Roos, Per E. M. Siegbahn

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 913 KB

english, 1980

76

The ground-state potential curve of the beryllium dimer

Margareta R. A. Blomberg, Per E. M. Siegbahn, Björn O. Roos

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 929 KB

english, 1980

77

A CASSCF-CI study of the coordination of ethylene with iron

Per -Olof Widmark, Björn O. Roos

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1989

Language:

english

File:

PDF, 893 KB

english, 1989

78

Anab initiostudy of the molecular structure and vibration-rotation spectrum of the triplet radical HCCN

Per -Åke Malmquist, Roland Lindh, Björn O. Roos, Stephen Ross

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1988

Language:

english

File:

PDF, 924 KB

english, 1988

79

Ab initioSCF-CI studies of the intermolecular interaction between two hydrogen molecules near the Van der Waals minimum

Elise Kochanski, Björn Roos, Per Siegbahn, Melvyn H. Wood

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1973

Language:

english

File:

PDF, 475 KB

english, 1973

80

A CASSCF and CCI study of the formation of the Ni2(C2H4) complex

Per-Olof Widmark, Björn O. Roos

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1987

Language:

english

File:

PDF, 747 KB

english, 1987

81

A CASSCF and CCI study of the formation of the Ni2(C2H4) complex

Per -Olof Widmark, Björn O. Roos

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1989

File:

PDF, 32 KB

1989

82

A critical study of basis set effects and the use of approximate natural orbitals in SCF-CI calculations of molecular geometries and heats of reaction

Gunnar Karlström, Bo Jönsson, Björn O. Roos, Per E. M. Siegbahn

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1978

Language:

english

File:

PDF, 863 KB

english, 1978

83

Erratum

Björn Roos, Per Siegbahn

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1979

File:

PDF, 13 KB

1979

84

A restricted active space (RAS) SCF study of the lifetime of theA3

Manuela Merchán, Per-Åke Malmqvist, Björn O. Roos

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1991

Language:

english

File:

PDF, 750 KB

english, 1991

85

Inclusion of dynamic σ-π polarization in π-electronab initiocalculations

Per-Åke Malmqvist, Björn O. Roos

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1992

Language:

english

File:

PDF, 629 KB

english, 1992

86

Risk factors for a contralateral anterior cruciate ligament injury

Per Swärd, Ioannis Kostogiannis, Harald Roos

Journal:

Knee Surgery, Sports Traumatology, Arthroscopy

Year:

2010

Language:

english

File:

PDF, 298 KB

english, 2010

87

The influence of posterior-inferior tibial slope in ACL injury

Ioannis Kostogiannis, Per Swärd, Paul Neuman, Thomas Fridén, Harald Roos

Journal:

Knee Surgery, Sports Traumatology, Arthroscopy

Year:

2011

Language:

english

File:

PDF, 236 KB

english, 2011

88

Reliability and reference values of two clinical measurements of dynamic and static knee position in healthy children

Maria Örtqvist, Eva B. Moström, Ewa M. Roos, Pia Lundell, Per-Mats Janarv, Suzanne Werner, Eva W. Broström

Journal:

Knee Surgery, Sports Traumatology, Arthroscopy

Year:

2011

Language:

english

File:

PDF, 309 KB

english, 2011

89

Correlation potentials for a multiconfigurational-based density functional theory with exact exchange

Sergey Gusarov, Per-Åke Malmqvist, Roland Lindh, Björn O. Roos

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2004

Language:

english

File:

PDF, 355 KB

english, 2004

90

A theoretical study of the N8 cubane to N8 pentalene isomerization reaction

Laura Gagliardi, Stefano Evangelisti, Per-Olof Widmark, Björn O. Roos

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1997

Language:

english

File:

PDF, 472 KB

english, 1997

91

Oxygen cleavage with manganese and iron in ribonucleotide reductase fromChlamydia trachomatis

Katarina Roos, Per E. M. Siegbahn

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 1.08 MB

english, 2011

92

A comparison of two-electron chemistry performed by the manganese and iron heterodimer and homodimers

Katarina Roos, Per E. M. Siegbahn

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 1.42 MB

english, 2012

93

Mitochondrial Control Region and microsatellite analyses on harbour porpoise (Phocoena phocoena) unravel population differentiation in the Baltic Sea and adjacent waters

Annika Wiemann, Liselotte W. Andersen, Per Berggren, Ursula Siebert, Harald Benke, Jonas Teilmann, Christina Lockyer, Iwona Pawliczka, Krzysztof Skóra, Anna Roos, Thomas Lyrholm, Kirsten B. Paulus, Va

Journal:

Conservation Genetics

Year:

2010

Language:

english

File:

PDF, 702 KB

english, 2010

94

Wear of pyrolytic tin oxide and anodized aluminium oxide coatings on aluminium

Per Hedenqvist, Arne Roos

Journal:

Surface and Coatings Technology

Year:

1991

Language:

english

File:

PDF, 1.02 MB

english, 1991

95

Distribution of Plutonium and its oxidation states in Framvaren and Hellvik fjords, Norway

Arthur L. Sanchez, Janine Gastaud, Elis Holm, Per Roos

Journal:

Journal of Environmental Radioactivity

Year:

1994

Language:

english

File:

PDF, 738 KB

english, 1994

96

Arbuscular mycorrhiza reduces phytoextraction of uranium, thorium and other elements from phosphate rock

Per Roos, Iver Jakobsen

Journal:

Journal of Environmental Radioactivity

Year:

2008

Language:

english

File:

PDF, 532 KB

english, 2008

97

Vascular density in childhood acute lymphoblastic leukaemia correlates to biological factors and outcome

Ulrika Norén-Nyström, Mats Heyman, Per Frisk, Irina Golovleva, Christer Sundström, Anna Porwit, Göran Roos, Anders Bergh, Erik Forestier

Journal:

British Journal of Haematology

Year:

2009

Language:

english

File:

PDF, 337 KB

english, 2009

98

Mycorrhiza and root hairs in barley enhance acquisition of phosphorus and uranium from phosphate rock but mycorrhiza decreases root to shoot uranium transfer

Baodong Chen, Per Roos, Ole K. Borggaard, Yong-Guan Zhu, Iver Jakobsen

Journal:

New Phytologist

Year:

2005

Language:

english

File:

PDF, 190 KB

english, 2005

99

Asymptomatic bacteriuria Escherichia coli strains: adhesins, growth and competition

Viktoria Roos, Eva M. Nielsen, Per Klemm

Journal:

FEMS Microbiology Letters

Year:

2006

Language:

english

File:

PDF, 287 KB

english, 2006

100

Muscle strength and functional performance in patients at high risk of knee osteoarthritis: a follow-up study

Jonas Bloch Thorlund, Per Aagaard, Ewa M. Roos

Journal:

Knee Surgery, Sports Traumatology, Arthroscopy

Year:

2012

Language:

english

File:

PDF, 263 KB

english, 2012

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