V. Staemmler

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A modified CAS-CI approach for an efficient calculation of magnetic exchange coupling constants

K. Fink, V. Staemmler, 2013 .

Optical transitions in excited alkali + rare-gas collision molecules and related interatomic potentials:

G. Peach, M. Jungen, A. Kaiser, 1996 .

Potential energy curves for the Rydberg states of LiHe and the spectrum of Li atoms interacting with He gas

M. Jungen, V. Staemmler, 1988 .

Ab initio Study, Including Electron Correlation, of the Electronic Structures, the Dipole Moments, the Static Polarizabilities and of the Harmonic Fields of H2CO, H2CS and H2SiO

R. Jaquet, V. Staemmler, Werner Kutzelnig, 1979 .

Theoretical study of the lowest potential energy surfaces for the reaction O(3P) + HBr(X 1∑+) → OH(X 2Π) + Br(2P)

J. Urban, V. Staemmler, 1993 .

CEPA Calculations for Rotation Barriers About CC Double Bonds: Ethylene, Allene, and Methylene-Cyclopropane

R. Jaquet, V. Staemmler, 1983 .

CEPA Calculations of potential energy surfaces for open-shell systems. II. The reaction of C+ Ions with molecular hydrogen

R. Jaquet, V. Staemmler, 1982 .

Cepa calculations of potential energy surfaces for open-shell systems. I. The reaction of O(3P) with H2(1Σg+)

R. Jaquet, V. Staemmler, 1981 .

CEPA calculations on open-shell molecules. I. Outline of the method

R. Jaquet, V. Staemmler, 1981 .

Application of the independent electron pair approach to the calculation of excitation energies, ionization potentials, and electron affinities of first row atoms

M. Jungen, V. Staemmler, 1975 .

CEPA calculations on open-shell molecules

V. Staemmler, 1990 .

Method of local increments for the calculation of adsorption energies of atoms and small molecules on solid surfaces. 2. CO/MgO(001).

V. Staemmler, 2011, The journal of physical chemistry. A.

An ab initio study of the O1s and Mg1s, Mg2s, Mg2p core electron binding energies in bulk MgO

Felix Uhl, V. Staemmler, 2019, Journal of Electron Spectroscopy and Related Phenomena.

A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(10 ̅10) surface.

K. Kotsis, V. Staemmler, F. Traeger, 2011, Physical chemistry chemical physics : PCCP.

CEPA calculations on open-shell molecules. VI. The first ionization potential of HCO

V. Staemmler, 1983 .

Near hartree-fock energy and equilibrium geometry of CH+5

W. Kutzelnigg, V. Staemmler, V. Dyczmons, 1970 .

Photodissociation of water in the first absorption band: A prototype for dissociation on a repulsive potential energy surface

P. Andresen, R. Sension, V. Engel, 1992 .

Computed potential hypersurface (including electron correlation) of the system Li+/H2

W. Kutzelnigg, V. Staemmler, C. Hoheisel, 1973 .

The valence electronic structure of zinc oxide powders as determined by X-ray emission spectroscopy: variation of electronic structure with particle size

M. Muhler, C. Wöll, L. Weinhardt, 2004 .

Magnetostructural dynamics of Rieske versus ferredoxin iron-sulfur cofactors.

D. Marx, V. Staemmler, M. E. Ali, 2015, Physical chemistry chemical physics : PCCP.

Lateral velocity distributions in laser-induced desorption of CO from Cr2O3(0001): experiment and theory

H. Freund, K. Al‐Shamery, V. Staemmler, 2004 .

Angular distribution of Ar+ ions resulting from single-electron capture in Ar2+-He collisions

H. Koslowski, V. Staemmler, B. Huber, 1988 .

Ab initio calculation of proton scattering from He(1s2s, 1S): a first-principles wavepacket study beyond the Born-Oppenheimer approximation

S. Thiel, V. Staemmler, T. Klüner, 1999 .

The adsorption of acenes on rutile TiO2(110): A multi-technique investigation

C. Wöll, V. Staemmler, S. Reiß, 2002 .

Interaction and diffusion of potassium on Cr 2 O 3 ( 0001 ) / C r ( 110 )

H. Freund, K. Al‐Shamery, M. Asscher, 2000 .

Detailed study of pyridine at the C 1s and N 1s ionization thresholds: The influence of the vibrational fine structure

H. Ågren, M. Martins, L. Pettersson, 2001 .

Pyridine adsorption on the polar ZnO(0001) surface: Zn termination versus O termination

C. Wöll, V. Staemmler, K. Weiss, 2000 .

The reaction Ne+H2+ (v=0, 1, 2, 3, 4)→NeH++H: 3D potential energy surface and quasiclassical trajectory calculations

J. Urban, R. Jaquet, V. Klimo, 1991 .

CEPA calculations of potential energy surfaces for open-shell systems.: IV. Photodissociation of H2O in the A1B1 state

V. Staemmler, A. Palma, 1985 .

PNO-CI (pair natural-orbital configuration interaction) and CEPA-PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems.

H. Lischka, W. Kutzelnigg, F. Keil, 1975 .

Potential curve of the lowest triplet state of Li2

W. Kutzelnigg, V. Staemmler, M. Gelus, 1972 .

CEPA calculations of potential energy surfaces for open-shell systems

V. Staemmler, R. Jonas, 1989 .

Ground and excited states of the Ne+3 molecule

J. Urban, V. Staemmler, I. Hubač, 2000 .

Adiabatic SCF potential energy curves relevant to proton–oxygen molecular collisions

F. Gianturco, V. Staemmler, 1985 .

Ab-initio calculations on small hydrides including electron correlation

W. Kutzelnigg, R. Ahlrichs, F. Driessler, 1973 .

Correlation energies in open shell systems. Comparison of CEPA, PNO-CI and perturbation treatments based on the restricted Roothaan-Hartree-Fock formalism

V. Staemmler, I. Hubač, P. Čársky, 1982 .

The direct determination of Brueckner orbitals with application to the H2 molecule

M. Jungen, V. Staemmler, 1972 .

Photodissociation dynamics of H2O and D2O in the first absorption band: A complete abinitio treatment

V. Engel, R. Schinke, V. Staemmler, 1988 .

An ab initio calculation of the absorption cross section of water in the first absorption continuum

V. Engel, R. Schinke, V. Staemmler, 1986 .

Collisions of doubly charged nitrogen molecules with rare gas atoms

H. Koslowski, R. F. Fink, V. Staemmler, 1991 .

Ab initio calculation of correlation effects for the O 1s core electron binding energy in MgO

Felix Uhl, V. Staemmler, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

The method of local increments for the calculation of adsorption energies of atoms and small molecules on solid surfaces. Part I. A single Cu atom on the polar surfaces of ZnO.

K. Fink, V. Staemmler, Ilka Schmitt, 2009, Physical chemistry chemical physics : PCCP.

Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.

K. Kotsis, V. Staemmler, Norbert Rössler, 2006, Physical chemistry chemical physics : PCCP.

Ab initio calculations for the 2s and 2p core level binding energies of atomic Zn, Zn metal, and Zn containing molecules

V. Staemmler, Norbert Rössler, 2003 .

Adsorption of CO on Cr2O3(0001)

H. Freund, V. Staemmler, M. Pykavy, 2001 .

CO2 activation by ZnO through the formation of an unusual tridentate surface carbonate.

B. Meyer, K. Kotsis, M. Muhler, 2007, Angewandte Chemie.

Emission spectroscopy of photodissociating water molecules: A time-independent ab initio study

V. Engel, R. Schinke, V. Staemmler, 1988 .

Violation of Hund's rule by spin polarization in molecules

V. Staemmler, H. Kollmar, Volker Staemmler, 1978 .

Ab initio calculation of the lowest singlet and triplet states in CH2, CHF, CF2, and CHCH3

V. Staemmler, 1974 .

Ab initio calculations on small hydrides including electron correlation

V. Staemmler, 1973 .

An ab initio cluster study of the magnetic properties of the CoO(001) surface

K. Fink, V. Staemmler, 2002 .

Ab initio calculation of the potential energy surface of the system Li+/CO

V. Staemmler, 1975 .

Ab initio calculations of small hydrides including electron correlation. The two lowest states of the BH2 radical

M. Jungen, V. Staemmler, Volker Staemmler, 1972 .

Ab initio intermolecular potentials of methane, nitrogen and methane + nitrogen and their use in Monte Carlo simulations of fluids and fluid mixtures

V. Staemmler, R. Vogelsang, P. Svejda, 1993 .

Rotational energy transfers in proton collisions with CO2 and HF targets

F. Gianturco, V. Staemmler, A. Palma, 1986 .

CEPA calculations of potential energy surfaces for open-shell systems. V. The O2-He Van der Waals potential

R. Jaquet, V. Staemmler, 1986 .

CEPA calculations on open-shell molecules. V. The vibration frequencies of SF and SCl

V. Staemmler, 1982 .

Ab initio Calculations of the potential energy surface of the reaction of singlet methylene with the hydrogen molecule

V. Staemmler, H. Kollmar, 1979 .

Potential energy curve of 1Σ+ Li+/He

P. C. Hariharan, V. Staemmler, 1976 .

High-resolution spectroscopy of NO in helium droplets: a prototype for open shell molecular interactions in a quantum solvent.

M. Havenith, A. Metzelthin, V. Staemmler, 2005, Physical review letters.

Ab initio calculation of the magnetic exchange coupling in linear oxo‐bridged heterobinuclear complexes of titanium (III), vanadium (III), and chromium (III)

K. Fink, V. Staemmler, C. Kolczewski, 2000 .

Superexchange and Spin−Orbit Coupling in Chlorine-Bridged Binuclear Cobalt(II) Complexes

K. Fink, V. Staemmler, C. Wang, 1999 .

Ab initio calculations of the magnetic exchange coupling in sulfur‐bridged binuclear Ni(II) complexes

K. Fink, V. Staemmler, C. Wang, 1997 .

A quantum chemical ab initio study of the superexchange coupling in binuclear oxygen-bridged Ni(II) complexes

K. Fink, V. Staemmler, C. Wang, 1995 .

AB INITIO CALCULATION OF THE MAGNETIC EXCHANGE COUPLING IN LINEAR OXO-BRIDGED BINUCLEAR COMPLEXES OF TITANIUM(III), VANADIUM(III), AND CHROMIUM(III)

R. F. Fink, K. Fink, V. Staemmler, 1994 .

Surface core-level binding energy shifts for MgO(100).

H. Freund, Felix Uhl, P. Bagus, 2014, Physical chemistry chemical physics : PCCP.

Rotational alignment in the photodesorption of CO from Cr2O3(0001): A systematic three-dimensional ab initio study

R. Kosloff, H. Freund, S. Thiel, 2002 .

Ab initio study of the photodissociation of water: OH state distributions and comparison with experiment

V. Engel, R. Schinke, V. Staemmler, 1985 .

Self-assembled monolayers of benzylmercaptan and p-cyanobenzylmercaptan on Au(111) surfaces: structural and spectroscopic characterization.

R. Adelung, C. Wöll, T. Strunskus, 2008, Langmuir : the ACS journal of surfaces and colloids.

Ab initio calculations of small hydrides including electron correlation

W. Kutzelnigg, R. Ahlrichs, V. Staemmler, 1971 .

The vibrational excitation of NO desorbing from NiO(100) after UV laser irradiation: is NO− a possible intermediate species?

H. Freund, S. Thiel, V. Staemmler, 1998 .

A novel tetranuclear [CrIII2MnIII2(µ3-O)2]8+ core with an ST= 0 spin ground state

W. Haase, U. Flörke, F. Birkelbach, 1994 .

Erratum to: “Strong relaxations a the Cr2O3(0001) surface as determined via low-energy electron diffraction and molecular dynamics simulations” [Surf. Sci. 372 (1997) L291]

L. Hammer, K. Heinz, S. Müller, 1997 .

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom

H. Lischka, W. Kutzelnigg, R. Ahlrichs, 1975 .

Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals.

F. Illas, P. Oppeneer, V. Staemmler, 2013, Journal of chemical theory and computation.

AB Initio Calculations of Electronic Surface States of Transition Metal Oxides and of the Superexchange Coupling in Oxo-bridged Transition Metal Complexes

V. Staemmler, 1996 .

SUBSTITUENT EFFECTS ON BONDING PROPERTIES IN DIPHOSPHENES, DISILENES, AND DIIMINES

W. Schoeller, V. Staemmler, 1984 .

A theoretical study of the structure of cyclobutadiene

V. Staemmler, H. Kollmar, 1977 .

Electronic states of the Cr2O3(0001) surface from ab initio embedded cluster calculations

H. Freund, V. Staemmler, J. A. Mejías, 1999 .

Excited states of ReO-4 : A comprehensive time-dependent relativistic density functional theory study

Wenli Zou, Volker Staemmler, Daoling Peng, 2009 .

Introduction to Hartree-Fock and CI Methods

V. Staemmler, 2006 .

Rotational state distributions in the photolysis of water: Influence of the potential anisotropy

V. Engel, R. Schinke, V. Staemmler, 1985 .

State and spatially resolved studies of UV-laser-induced desorption of molecules from oxide surfaces

Katharina H. Al-Shamery, Ingrid Beauport, M. Menges, 1994, Photonics West - Lasers and Applications in Science and Engineering.

CEPA calculations on open-shell molecules. VII: Electronic structure and properties of HNS

J. Wasilewski, V. Staemmler, 1986 .

CEPA calculations on open-shell molecules. II. Singlet-triplet energy splitting in π2 configurations of diatomic molecules

R. Jaquet, V. Staemmler, 1981 .

Electronic surface state of NiO (100)

H. Freund, C. Ventrice, H. Kuhlenbeck, 1993 .

Ab initio calculations of the O1s XPS spectra of ZnO and Zn oxo compounds.

Volker Staemmler, Konstantinos Kotsis, K. Kotsis, 2006, Physical chemistry chemical physics : PCCP.

Exchangelike effects for closed-shell adsorbates: interface dipole and work function.

C. Wöll, P. Bagus, V. Staemmler, 2002, Physical review letters.

Dissociative electron attachment to methyl chloride: A quasi-diatomic potential curve for the fragmentation of the metastable CH3Cl- anion

P. Mach, J. Urban, V. Staemmler, 2009 .

Structural rearrangement and surface magnetism on oxide surfaces: a temperature-dependent low-energy electron diffraction-electron energy loss spectroscopy study of Cr2O3(111)/Cr(110)

M. Bäumer, H. Freund, H. Kuhlenbeck, 1995 .

CEPA calculations on open‐shell molecules. IV. Electron correlation effects in B1 Rydberg states of H2O

M. Jungen, R. Jaquet, V. Staemmler, 1981 .

Note on open shell restricted SCF calculations for rotation barriers about C-C double bonds: Ethylene and allene

Volker Staemmler, V. Staemmler, 1977 .

On the structure of cyclobutadiene. Theoretical determination of its infrared spectrum

V. Staemmler, H. Kollmar, 1978 .

Feshbach-resonances and dissociative electron attachment of H2O

M. Jungen, V. Staemmler, J. Vogt, 1979 .

The vacuum‐ultraviolet photodissociation of NH2(X̃ 2B1)→NH(A 3Π)+H

F. Stuhl, V. Staemmler, H. Biehl, 1994 .

Selective Vibrational Inelasticity in Proton-Molecule Collisions

F. Gianturco, V. Staemmler, 1981 .

An ab initio study of the chemical bond and the 129Xe NMR chemical shifts in M+ −Xe compounds, M = Li, Na, K, Cu, Ag

V. Staemmler, C. Wüllen, A. Freitag, 1995 .

Vuv photolysis of hydrazoic acid: Absorption and fluorescence excitation spectra

F. Stuhl, V. Staemmler, U. Meier, 1998 .

Can the H5 molecule be observed

M. Jungen, V. Staemmler, K. Kaufmann, 1983 .

Experimental and theoretical study of Penning ionisation of H2O by metastable helium He(23S)

V. Staemmler, H. Morgner, B. Haug, 1985 .

H. Lischka, W. Kutzelnigg, R. Ahlrichs, 1975 .

Electron capture and dissociation of the molecule in slow collisions

V. Staemmler, K. Wiesemann, B. Huber, 1996 .

A multi-configuration reference CEPA method based on pair natural orbitals

Reinhold F. Fink, Volker Staemmler, V. Staemmler, 1993 .

Excitation of the C(2p2. 3Pj) fine structure states in collisions with He(1s2 1S0)

V. Staemmler, D. Flower, 1991 .

CEPA calculations of potential energy surfaces for open-shell systems.: III. Van der Waals interaction between O(3P) and He(1S)

R. Jaquet, V. Staemmler, 1985 .

Ab initio study of small He cluster ions Hen+,n=2, 3, 4, 5, and low-lying Rydberg states of He4

V. Staemmler, 1990 .

Rydberg states of H4

M. Jungen, V. Staemmler, 1983 .

CASSCF and CEPA calculations for the photodissociation of hydroazoic acid. 2. Photodissociation into nitrogen and imidogen on the lowest 1A'' surface of hydroazoic acid

V. Staemmler, U. Meier, 1991 .

Photodissociation dynamics of H2O2 at 193 nm: An example of the rotational reflection principle

R. Schinke, V. Staemmler, 1988 .

Theoretical study of the reaction Ne + H+2 → NEH+ + H in the 2A′ ground state

J. Urban, R. Jaquet, V. Staemmler, 1990 .

A heuristic estimate of molecular correlation energies using pair correlation energies of localized molecular orbitals

R. Franke, V. Staemmler, Michael Böckers, 2019, Theoretical Chemistry Accounts.

AB INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION PART 10, TRIPLET-SINGLET-ENERGY SEPARATION AND OTHER PROPERTIES OF THE CH2 RADICAL

V. Staemmler, 1973 .

Ab initio calculation of potential energy surfaces for the three lowest triplet states (1 3A′′,1 3A,2 3A′′) of PH(X,A)–He

K. Fink, V. Staemmler, C. Kolczewski, 1997 .

Stabilization of polar ZnO surfaces: validating microscopic models by using CO as a probe molecule.

D. Marx, B. Meyer, C. Wöll, 2003, Physical review letters.

Energy transfer of keV Ne atoms to the lattice of a LiF(001) surface under channeling

V. Staemmler, H. Winter, R. Pfandzelter, 2002 .

Magnetostructural Dynamics from Hubbard-U Corrected Spin-Projection: [2Fe-2S] Complex in Ferredoxin.

D. Marx, J. Ribas-Ariño, V. Staemmler, 2010, Journal of chemical theory and computation.

Dynamical magnetostructural properties of Anabaena ferredoxin

D. Marx, E. Schreiner, R. Pollet, 2007, Proceedings of the National Academy of Sciences.

Accurate ab initio determination of the van der Waals interaction in the X2Σ+ ground state of LiHe

V. Staemmler, 1997 .

Magnetostructural Dynamics with the Extended Broken Symmetry Formalism: Antiferromagnetic [2Fe-2S] Complexes.

D. Marx, E. Schreiner, R. Pollet, 2008, Journal of chemical theory and computation.

CO2 Adlayers on the Mixed Terminated ZnO(10-10) Surface Studied by He Atom Scattering, Photoelectron Spectroscopy and Ab Initio Electronic Structure Calculations

B. Meyer, K. Kotsis, C. Wöll, 2008 .

Electronic surface states of NiO ( 100 )

H. Freund, C. Ventrice, V. Staemmler, 2001 .

Comparison of the O Kalpha x-ray emission bands in micro- and mesoporous silica materials and in alpha-quartz.

H. Gies, C. Wöll, O. Khyzhun, 2008, The Journal of chemical physics.

Autoionization spectroscopy of CO on metal oxide surfaces

T. Risse, H. Freund, T. Porwol, 1996 .

Excitation of the fine-structure transitions of C in collisions with ortho- and para-H2

R. Jaquet, V. Staemmler, D. Flower, 1991 .

Electronic processes near kinematic threshold for grazing scattering of fast hydrogen atoms from a LiF(001) surface

F. Aumayr, H. Winter, V. Staemmler, 2003 .

Strong relaxations at the Cr2O3(0001) surface as determined via low-energy electron diffraction and molecular dynamics simulations

Hans-Joachim Freund, Marcus Bäumer, Volker Staemmler, 1997 .

A theoretical study of the electronic structure of the Co2O2 molecule

P. Reinhardt, M. Alikhani, V. Staemmler, 2008 .

An ab initio study of the geometry dependence of the magnetic exchange coupling in oxo-bridged binuclear chromium(III) complexes

K. Fink, V. Staemmler, C. Wang, 1995 .

Ab initio calculations of van der Waals interactions in one‐ and two‐dimensional infinite periodic systems

K. Fink, V. Staemmler, 1995 .

CEPA calculations on open-shell molecules. III. Potential curves for the six lowest excited states of He2 in the vicinity of their equilibrium distances

J. Wasilewski, R. Jaquet, V. Staemmler, 1981 .

Quantum calculation of the excitation spectra of Li*He probing interaction potentials and dipole moments

V. Staemmler, W. Behmenburg, T. Grycuk, 2001 .

Laser‐induced desorption of NO from NiO(100): Ab initio calculations of potential surfaces for intermediate excited states

Thorsten Klüner, Hans-Joachim Freund, Volker Staemmler, 1996 .

The iron–sulfur core in Rieske proteins is not symmetric

F. Neese, D. Marx, M. Retegan, 2014, JBIC Journal of Biological Inorganic Chemistry.

Theoretical investigation of weak hydrogen bonds to sulfur

F. Wennmohs, M. Schindler, V. Staemmler, 2003 .

Ab initio calculations for the adsorption of small molecules on metal oxide surfaces. I. Cluster calculations for carbon monoxide CO on nickel oxide NiO(100)

V. Staemmler, Martin Pöhlchen, 1992 .

Theoretical Investigation of Laser Induced Desorption of Small Molecules from Oxide Surfaces: A First Principles Study

R. Kosloff, H. Freund, V. Staemmler, 1998 .

Laser induced desorption of NO from NiO(100): Characterization of potential energy surfaces of excited states

Thorsten Klüner, Hans-Joachim Freund, Volker Staemmler, 1997 .

Electronic surface states of CoO(100): an electron energy loss study

H. Freund, H. Kuhlenbeck, V. Staemmler, 1995 .

Ab initio calculations for the adsorption of small molecules on metal oxide surfaces. Part 3. Adsorption of H and CH3 radicals on NiO(100)

V. Staemmler, J. Freitag, 1994 .

Quantum Chemical ab initio Calculations for the Adsorption of Small Molecules on NiO(100)

V. Staemmler, 1993 .

Three electrons in a harmonic oscillator potential: Pairs versus single particles

J. Cioslowski, K. Pernal, M. Taut, 2003 .

A quantum-chemical MINDO/3 study of methane and oxygen interactions with a pure and a modified calcium oxide surface

M. Baerns, V. Staemmler, N. Zhanpeisov, 1995 .

Weak thermal reduction of biphase Fe2O3(0001) films grown on Pt(111): Sub-surface Fe2+ formation

H. Freund, H. Kuhlenbeck, E. Bauer, 2015 .

An ab initio study of the adsorption of CO on a Zn4O4 cluster with wurtzite-like structure

K. Fink, V. Staemmler, Shi Chuan, 2003 .

Nonadiabatic effects in the photodissociation of H2S

R. Schinke, V. Staemmler, K. Weide, 1990 .

An ab initio study of the electronic structure of diimide

R. Ahlrichs, V. Staemmler, 1976 .

CEPA calculations on open-shell molecules. IX: Vertical excitation energies of hydroxylamine and hydrazine

V. Staemmler, 1988 .

Revealing the magnetostructural dynamics of [2Fe-2S] ferredoxins from reduced-dimensionality analysis of antiferromagnetic exchange coupling fluctuations.

D. Marx, E. Schreiner, J. Ribas-Ariño, 2010, The journal of physical chemistry. B.

Three-dimensional ab initio quantum dynamics of the photodesorption of CO from Cr(2)O(3)(0001): stereodynamic effects.

R. Kosloff, H. Freund, S. Thiel, 2001, Physical review letters.

Constrained spin-density dynamics of an iron-sulfur complex: ferredoxin cofactor.

D. Marx, V. Staemmler, M. E. Ali, 2012, The Journal of chemical physics.

Adsorption of Nitrogen on Rutile(110). 2. Construction of a Full Five-Dimensional Potential Energy Surface†

F. Rittner, V. Staemmler, B. Boddenberg, 1999 .

Werner Kutzelnigg – full of ideas

W. Klopper, V. Staemmler, 2020 .

Bonding of NH3, CO, and NO to NiO and Ni-doped MgO: a problem for density functional theory

F. Illas, G. Pacchioni, T. Bredow, 2004 .

Adsorption of benzene on coinage metals: a theoretical analysis using wavefunction-based methods.

Volker Staemmler, Christof Wöll, Riccarda Caputo, 2007, The journal of physical chemistry. A.

The near UV emission spectra of the Li*He excimers: experimental and theoretical studies

A. Kaiser, V. Staemmler, W. Behmenburg, 2002 .

ESCAPE: A novel approach for a fast estimation of dynamic correlation energies: Application to large organic molecules

Lisa Warczinski, Robert Franke, Volker Staemmler, 2019, J. Comput. Chem..

An efficient first-order CASSCF method based on the renormalized Fock-operator technique

Volker Staemmler, V. Staemmler, U. Meier, 1989 .

Origin of the dimerization energy of BH3 to B2H6

W. Kutzelnigg, R. Ahlrichs, V. Staemmler, 1970 .

A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(10 ̅10) surface.

V. Staemmler, F. Traeger, Y. Gao, 2011, Physical chemistry chemical physics : PCCP.