K. Stark

Physics and Astronomy · Physical Sciences

18h-index2.0kcitations28works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(14), Quantum, superfluid, helium dynamics(10), Nuclear reactor physics and engineering(5), Spectroscopy and Quantum Chemical Studies(5), Catalytic Processes in Materials Science(3)

Publications28 total

Medizinische Virologie
2010· 31 cited
A Spectroscopic and Computational Investigation of the Vanadomolybdate Local Structure in the Lyonsite Phase Mg<sub>2.5</sub>VMoO<sub>8</sub>.
ChemInform·2007
A Spectroscopic and Computational Investigation of the Vanadomolybdate Local Structure in the Lyonsite Phase Mg<sub>2.5</sub>VMoO<sub>8</sub>
Inorganic Chemistry·2007· 8 cited
Effect of Stacking and Redox State on Optical Absorption Spectra of Melanins−Comparison of Theoretical and Experimental Results
The Journal of Physical Chemistry B·2005· 104 cited
10. Computational Materials Science with Materials Studio$^{\rlap{\LARGE\(\circ\)}\,\hskip.5pt\raise3pt\hbox{\tiny\rm R}}\,$: Applications in Catalysis
Lecture notes in physics·2004· 15 cited
A DFT Study toward the Mechanism of Chromium-Catalyzed Ethylene Trimerization
Organometallics·2004· 162 cited
Spectroscopic Study and Simulation from Recent Structural Models for Eumelanin:  II. Oligomers
The Journal of Physical Chemistry B·2003· 79 cited
Spectroscopic Study and Simulation from Recent Structural Models for Eumelanin:  I. Monomer, Dimers
The Journal of Physical Chemistry B·2003· 84 cited
Heterogeneous catalysis: looking forward with molecular simulation
Catalysis Today·1999· 25 cited
<i>Ab Initio</i> Simulation of Molecular Beam Experiments for the F + H<sub>2</sub> → HF + H Reaction
The Journal of Physical Chemistry A·1997· 60 cited
Product rotational polarization. The stereodynamics of the F + H2 reaction
Chemical Physics Letters·1997· 46 cited
The F + HD reaction: cross sections and rate constants on an ab initio potential energy surface
Chemical Physics Letters·1996· 29 cited
An accurate multireference configuration interaction calculation of the potential energy surface for the F+H2→HF+H reaction
The Journal of Chemical Physics·1996· 398 cited
Quantum mechanical angular distributions for the F+H2 reaction
The Journal of Chemical Physics·1996· 247 cited
Reaction cross sections and rate constants for the F+H2 (D2) → HF(DF)+H(D) reactions from quasiclassical trajectory calculations on a potential energy surface
Chemical Physics Letters·1996· 36 cited
Integral and differential state-to-state cross-sections for the reactions F+D2(<i>v</i> <i>i</i>=0,<i>j</i> <i>i</i>)→DF(<i>v</i> <i>f</i>,<i>j</i> <i>f</i>)+D: A comparison between three-dimensional quantum mechanical and experimental results
The Journal of Chemical Physics·1996· 40 cited
The F+HD→DF(HF)+H(D) reaction revisited: Quasiclassical trajectory study on an <i>ab</i> <i>initio</i> potential energy surface and comparison with molecular beam experiments
The Journal of Chemical Physics·1995· 94 citedOpen Access
Quasi-Classical Trajectory Study of the F + D2 .fwdarw. DF + D Reaction on a New ab Initio Potential Energy Surface. Comparison with Molecular Beam Experimental Results
The Journal of Physical Chemistry·1994· 47 cited
Classical dynamics for the F + H2 → HF + H reaction on a new ab initio potential energy surface. A direct comparison with experiment
Chemical Physics Letters·1994· 123 cited
The Transition State of the F + H <sub>2</sub> Reaction
Science·1993· 271 cited
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Frequent Co-authors

Hans‐Joachim Werner(11), F. J. Aoiz(7), Luis Bañares(6), Vı́ctor J. Herrero(6), V. Sáez Rábanos(5), G. Zając(5), George Fitzgerald(4), David E. Manolopoulos(3), James M. Gallas(3), Joseph T. Golab(3), J. F. Castillo(2), M. Eisner(2), Bruno Martı́nez−Haya(2), Jan Andzelm(2), Jared P. Smit(2), Hacksung Kim(2), Ian Saratovsky(2), Jean‐François Gaillard(2), Kenneth R. Poeppelmeier(2), Peter C. Stair(2)