K
v
ire
.com
←
Back
Night
Docs
Library
Review
…
Author
Per E. M. Siegbahn
also known as P E M Siegbahn, P Siegbahn, P. E. M. SIEGBAHN
Stockholm University · Goddard Institute for Space Studies · University of Southern California · Nordic Institute for Theoretical Physics
About this author
Works
551
Cited by
35,288
h-index
95
i10
440
ORCID ↗
Top papers
The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule
Per E. M. Siegbahn, Jan Almløf, Anders Heiberg, et al.
·
1981
·
The Journal of Chemical Physics
↗ 1,201
An accurate three-dimensional potential energy surface for H3
Per E. M. Siegbahn, B. Liu
·
1978
·
The Journal of Chemical Physics
↗ 776
A New Intermolecular Interaction: UnconventionalHydrogen Bonds with Element−Hydride Bonds as ProtonAcceptor
Robert H. Crabtree, Per E. M. Siegbahn, Odile Eisenstein, et al.
·
1996
·
Accounts of Chemical Research
↗ 649
Quantum Chemical Studies of Mechanisms for Metalloenzymes
Margareta R. A. Blomberg, Tomasz Borowski, Fahmi Himo, et al.
·
2014
·
Chemical Reviews
↗ 594
OA
Transition-Metal Systems in Biochemistry Studied by High-Accuracy Quantum Chemical Methods
Per E. M. Siegbahn, Margareta R. A. Blomberg
·
2000
·
Chemical Reviews
↗ 547
Hydration of Beryllium, Magnesium, Calcium, and Zinc Ions Using Density Functional Theory
Maria Pavlov, Per E. M. Siegbahn, Magnus Sandström
·
1998
·
The Journal of Physical Chemistry A
↗ 518
Structures and Energetics for O<sub>2</sub> Formation in Photosystem II
Per E. M. Siegbahn
·
2009
·
Accounts of Chemical Research
↗ 514
Gaussian basis sets for the first and second row atoms
B. Roos, Per E. M. Siegbahn
·
1970
·
Theoretical Chemistry Accounts
↗ 497
Study of the N−H···H−B Dihydrogen Bond Including the Crystal Structure of BH<sub>3</sub>NH<sub>3</sub> by Neutron Diffraction
Wim T. Klooster, Thomas F. Koetzle, Per E. M. Siegbahn, et al.
·
1999
·
Journal of the American Chemical Society
↗ 482
Unconventional Hydrogen Bonds: Intermolecular B-H.cntdot..cntdot..cntdot.H-N Interactions
Thomas B. Richardson, Susan de Gala, Robert H. Crabtree, et al.
·
1995
·
Journal of the American Chemical Society
↗ 433
Water oxidation mechanism in photosystem II, including oxidations, proton release pathways, O―O bond formation and O2 release
Per E. M. Siegbahn
·
2012
·
Biochimica et Biophysica Acta (BBA) - Bioenergetics
↗ 394
Computational Studies of [NiFe] and [FeFe] Hydrogenases
Per E. M. Siegbahn, Jesse W. Tye, Michael B. Hall
·
2007
·
Chemical Reviews
↗ 392