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- 2021
-
Mark
Combustion chemistry of methoxymethanol. Part I : Chemical kinetics of hydrogen-abstraction reactions and the unimolecular reactions of the product [C2H5O2] radicals
(
- Contribution to journal › Article
- 2019
-
Mark
Nonadiabatic Dynamics Simulation Predict Intersystem Crossing in Nitroaromatic Molecules on a Picosecond Time Scale
(
- Contribution to journal › Article
- 2017
-
Mark
Tuning Crystal Structures and Thermoelectric Properties through Al Doping in ReSi1.75
(
- Contribution to journal › Article
- 2013
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Mark
High resolution study of the inner-shell 3p-3d and 3p-5s resonance regions in calcium atoms
(
- Contribution to journal › Article
- 2012
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Mark
Valence photoionization and photoelectron-photoion coincidence (PEPICO) study of molecular LiCl and Li2Cl2
(
- Contribution to journal › Article
- 2011
-
Mark
Probing the conduction band edge of transition metal oxides by X-ray absorption spectroscopy
(
- Contribution to journal › Article
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Mark
Tin-stabilized (1 x 2) and (1 x 4) reconstructions on GaAs(100) and InAs(100) studied by scanning tunneling microscopy, photoelectron spectroscopy, and ab initio calculations
(
- Contribution to journal › Article
- 2010
-
Mark
Core-level shifts of the c(8 x 2)-reconstructed InAs(100) and InSb(100) surfaces
(
- Contribution to journal › Article
- 2009
-
Mark
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
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- Contribution to journal › Article
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Mark
Investigation of interface properties of Ni/Cu multilayers by high kinetic energy photoelectron spectroscopy
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- Contribution to journal › Article
- 2008
-
Mark
Bismuth-stabilized (2x1) and (2x4) reconstructions on GaAs(100) surfaces: Combined first-principles, photoemission, and scanning tunneling microscopy study
(
- Contribution to journal › Article
- 2007
-
Mark
Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)
(
- Contribution to journal › Article
-
Mark
Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane
(
- Contribution to journal › Article
-
Mark
Theoretical predictions of the coordination of water to the polar headgroup of dimethyldodecylamine-N-oxide
(
- Contribution to journal › Article
-
Mark
Reaching the maximum multiplicity of the covalent chemical bond
(
- Contribution to journal › Article
- 2006
-
Mark
A quantum chemical study of the quintuple bond between two chromium centers in [PhCrCrPh]: trans-bent versus linear geometry
(
- Contribution to journal › Article
-
Mark
Carbon nanorings: A challenge to theoretical chemistry
(
- Contribution to journal › Article
-
Mark
Spin-orbit ab initio investigation of the photolysis of bromoiodomethane
(
- Contribution to journal › Article
- 2002
-
Mark
Determination of the adsorption site of a polyatomic adsorbate using vibrational spectroscopy and ab initio calculations: methoxy on Cu(100)
2002) Proceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21)(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
- 2001
-
Mark
TIF and PbO under high pressure : Unexpected persistence of the stereochemically active electron pair
(
- Contribution to journal › Article
- 1999
-
Mark
The origin of the distorted close-packed elemental structure of indium
(
- Contribution to journal › Article