21 – 38 of 38
- show: 20
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=" "
width=" "
height=" "
allowtransparency="true"
frameborder="0">
</iframe>
- « previous
- 1
- 2
- next »
- 2017
-
Mark
XAS and XES studies of carbonate and bicarbonate ions in aqueous solutions
(
- Contribution to journal › Article
- 2016
-
Mark
Investigation of microstructure evolution during self-annealing in thin Cu films by combining mesoscale level set and ab initio modeling
(
- Contribution to journal › Article
-
Mark
Activity of phenoxy-imine titanium catalysts in ethylene polymerization : A quantum chemical approach
(
- Contribution to journal › Article
-
Mark
Catalytic mechanism of human glyoxalase i studied by quantum-mechanical cluster calculations
(
- Contribution to journal › Article
-
Mark
Reversed Hysteresis during CO Oxidation over Pd75Ag25(100)
(
- Contribution to journal › Article
-
Mark
Density functional theory of equilibrium random copolymers : Application to surface adsorption of aggregating peptides
(
- Contribution to journal › Article
-
Mark
Thermal transformations of tris(2-thienyl)phosphine (PTh3) at low-valent ruthenium cluster centers : Part I. Carbon-hydrogen, carbon-phosphorus and carbon-sulfur bond activation yielding Ru3(CO)8L{μ-Th2P(C4H2S)}(μ-H) (L = CO, PTh3), Ru3(CO)7(μ-PTh2)2(μ3-η2-C4H2S), Ru4(CO)9(μ-CO)2(μ4-η2-C4H2S)(μ4-PTh) and Ru5(CO)11(μ-PTh2)(μ4-η4-C4H3)(μ4-S)
(
- Contribution to journal › Article
- 2014
-
Mark
Synthesis of [Ru-3(CO)(9)(mu-dppf){P(C4H3E)(3)}] (E = O, S) and thermally induced cyclometalation to form [(mu-H)Ru-3(CO)(7)(mu-dppf){mu(3)-( C4H3E)(2)P(C4H2E)}] (dppf=1,1 '-bis(diphenylphosphino) ferrocene)
(
- Contribution to journal › Article
-
Mark
Analytical and Numerical Developments in Strongly Correlated Systems: Perspectives from TDDFT and Green's Functions
2014)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Quantum chemical characterization of oxide nanoparticles and interactions on their surfaces
2014)(
- Thesis › Doctoral thesis (compilation)
- 2013
-
Mark
Emerging Polymorphism in Nanostructured TiO2: Quantum Chemical Comparison of Anatase, Rutile, and Brookite Clusters
(
- Contribution to journal › Article
-
Mark
Area and Power Reduction in DFT Based Channel Estimators for OFDM Systems
2013) NORCHIP Conference, 2013(
- Contribution to conference › Paper, not in proceeding
- 2010
-
Mark
The solvent shell structure of aqueous iodide : X-ray absorption spectroscopy and classical, hybrid QM/MM and full quantum molecular dynamics simulations
(
- Contribution to journal › Article
- 2009
-
Mark
Cobalamins uncovered by modern electronic structure calculations
(
- Contribution to journal › Scientific review
- 2008
-
Mark
Synthesis, EPR and DFF calculations of rare Ag(II)porphyrins and the crystal structure of [Zn(II)tetrakis(4-bromo-2-thiophene)porphyrin]
(
- Contribution to journal › Article
-
Mark
Ab initio investigation on the chemical origin of the firefly bioluminescence
(
- Contribution to journal › Article
- 2007
-
Mark
Hydration of trimethylamine-N-oxide and of dimethyldodecylamine-N-oxide: An ab initio study
(
- Contribution to journal › Article
- 2002
-
Mark
The intermetallic oxidation of Pd(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
- « previous
- 1
- 2
- next »