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B

Björn O. Roos

lund university

82H指数
404论文数
4.2W被引数
收录论文 40
发表时间
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Basis set representation of the electron density at an atomic nucleus
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2010-10-13
err27
PREAI
errMastalerz, Remigius; Widmark, Per-Olof; Roos, Bjorn Olof; Lindh, Roland; Reiher, Markus
err分享
err收藏
Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2010-05-26
err51
PREAI
errWang, Xuefeng; Andrews, Lester; Malmqvist, Per-Ake; Roos, Bjorn O.; Goncalves, Antonio P.; Pereira, Claudia C. L.; Marcalo, Joaquim; Godart, Claude; Villeroy, Benjamin
err分享
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On the Analysis of the Cr-Cr Multiple Bond in Several Classes of Dichromium Compounds
errINORGANIC CHEMISTRY
IF4.7
err2010-04-28
err93
PREAI
errLa Macchia, G.; Li Manni, G.; Todorova, T. K.; Brynda, M.; Aquilante, F.; Roos, B. O.; Gagliardi, L.
err分享
err收藏
Matrix infrared spectra and electronic structure calculations of the first actinide borylene: FB=ThF2
errCHEMICAL COMMUNICATIONS
IF4.2
err2010-01-01
err23
PREAI
errWang, Xuefeng; Roos, Bjorn O.; Andrews, Lester
err分享
err收藏
Bonding Trends in Molecular Compounds of Lanthanides: The Double-Bonded Carbene Cations LnCH2+ (Ln = Sc, Y, La-Lu)
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2009-12-23
err36
PREAI
errRoos, Bjorn O.; Pyykko, Pekka
err分享
err收藏
Calculations and Matrix Infrared Spectra of Terminal Borylene Complexes FB=MF2
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2009-12-22
err35
PREAI
errWang, Xuefeng; Roos, Bjorn O.; Andrews, Lester
err分享
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Systematic truncation of the virtual space in multiconfigurational perturbation theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-07-20
err59
errOAAI
errAquilante, Francesco; Todorova, Tanya Kumanova; Gagliardi, Laura; Pedersen, Thomas Bondo; Roos, Bjorn
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err收藏
AsUF3 Molecule with a Weak Triple Bond to Uranium
errINORGANIC CHEMISTRY
IF4.7
err2009-06-10
err21
PREAI
errAndrews, Lester; Wang, Xuefeng; Roos, Bjorn O.
err分享
err收藏
Software News and Update MOLCAS 7: The Next Generation
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2009-06-04
err1.5K
PREAI
errAquilante, Francesco; De Vico, Luca; Ferre, Nicolas; Ghigo, Giovanni; Malmqvist, Per-Ake; Neogrady, Pavel; Pedersen, Thomas Bondo; Pitonak, Michal; Reiher, Markus; Roos, Bjorn O.; Serrano-Andres, Luis; Urban, Miroslav; Veryazov, Valera; Lindh, Roland
err分享
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Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds
errINORGANIC CHEMISTRY
IF4.7
err2008-11-12
err54
errOAAI
errLa Macchia, Giovanni; Aquilante, Francesco; Veryazov, Valera; Roos, Bjorn O.; Gagliardi, Laura
err分享
err收藏
Accurate ab initio density fitting for multiconfigurational self-consistent field methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-07-14
err186
PREAI
errAquilante, Francesco; Pedersen, Thomas Bondo; Lindh, Roland; Roos, Bjoern Olof; De Meras, Alfredo Sanchez; Koch, Henrik
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Simple NUF3 and PUF3 molecules with triple bonds to uranium
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2008-07-07
err80
PREAI
errAndrews, Lester; Wang, Xuefeng; Lindh, Roland; Roos, Bjoern O.; Marsden, Colin J.
err分享
err收藏
Cholesky decomposition-based multiconfiguration second-order perturbation theory (CD-CASPT2):: Application to the spin-state energetics of CoIII(diiminato)(NPh)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2008-04-16
err346
PREAI
errAquilante, Francesco; Malmqvist, Per-Ake; Pedersen, Thomas Bondo; Ghosh, Abhik; Roos, Bjoern Olof
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Ab initio characterization of C5
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-10-18
err30
errOAAI
errMasso, H.; Veryazov, V.; Malmqvist, P.-A.; Roos, B. O.; Senent, M. L.
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err收藏
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2
errINORGANIC CHEMISTRY
IF4.7
err2007-05-08
err67
PREAI
errLyon, Jonathan T.; Andrews, Lester; Malmqvist, Per-Ake; Roos, Bjorn O.; Yang, Tianxiao; Bursten, Bruce E.
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Reaching the maximum multiplicity of the covalent chemical bond
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2007-02-09
err287
errOAAI
errRoos, Bjorn O.; Borin, Antonio C.; Gagliardi, Laura
err分享
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Performance of density functionals for first row transition metal systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-01-04
err220
PREAI
errJensen, Kasper P.; Roos, Bjorn O.; Ryde, Ulf
err分享
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Exploring the actinide-actinide bond:: Theoretical studies of the chemical bond in Ac2, Th2, Pa2, and U2
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2006-12-06
err173
errOAAI
errRoos, Bjorn O.; Malmqvist, Per-Ake; Gagliardi, Laura
err分享
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A quantum chemical study of the quintuple bond between two chromium centers in [PhCrCrPh]:: trans-bent versus linear geometry
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2006-05-24
err308
errOAAI
errBrynda, M; Gagliardi, L; Widmark, PO; Power, PP; Roos, BO
err分享
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Quantum chemistry predicts multiply bonded diuranium compounds to be stable
errINORGANIC CHEMISTRY
IF4.7
err2005-12-15
err67
errOAAI
errRoos, BO; Gagliardi, L
err分享
err收藏

研究方向

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合作学者
合作期刊
P
Philip P. Power
H 指数: 105 · 论文数: 1.2K
L
Laura Gagliardi
H 指数: 97 · 论文数: 1.1K
C
Charles W. Bauschlicher
H 指数: 93 · 论文数: 830
M
Markus Reiher
H 指数: 82 · 论文数: 663
L
Lester Andrews
H 指数: 79 · 论文数: 1.1K
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