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Density functional theory study of adsorption of H2O, H, O, and OH on stepped platinum surfaces
American Institute of Physics | 2014|Verlag: American Institute of Physics -
The structure of water around the compressibility minimum
American Institute of Physics | 2014|Verlag: American Institute of Physics -
Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions
American Institute of Physics | 2014|Verlag: American Institute of Physics -
Extended multi-configuration quasi-degenerate perturbation theory: The new approach to multi-state multi-reference perturbation theory
NationallizenzAmerican Institute of Physics | 2011|Verlag: American Institute of Physics -
Communication: Ro-vibrational control of chemical reactivity in H+CH4→ H2+CH3 : Full-dimensional quantum dynamics calculations and a sudden model
Freier ZugriffAmerican Institute of Physics | 2014|Verlag: American Institute of Physics -
Rapid isolation of cancer cells using microfluidic deterministic lateral displacement structure
Freier ZugriffAmerican Institute of Physics | 2013|Verlag: American Institute of Physics -
The Bravyi-Kitaev transformation for quantum computation of electronic structure
NationallizenzAmerican Institute of Physics | 2012|Verlag: American Institute of Physics -
An overlap fitted chain of spheres exchange method
NationallizenzAmerican Institute of Physics | 2011|Verlag: American Institute of Physics -
Perspective: The Asakura Oosawa model: A colloid prototype for bulk and interfacial phase behavior
Freier ZugriffAmerican Institute of Physics | 2014|Verlag: American Institute of Physics -
Structural changes of water in poly(vinyl alcohol) hydrogel during dehydration
American Institute of Physics | 2014|Verlag: American Institute of Physics -
Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory
American Institute of Physics | 2013|Verlag: American Institute of Physics -
Hardness of FeB4: Density functional theory investigation
American Institute of Physics | 2014|Verlag: American Institute of Physics -
Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
NationallizenzAmerican Institute of Physics | 2013|Verlag: American Institute of Physics -
The fundamental role of quantized vibrations in coherent light harvesting by cryptophyte algae
NationallizenzAmerican Institute of Physics | 2012|Verlag: American Institute of Physics -
A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks
NationallizenzAmerican Institute of Physics | 2013|Verlag: American Institute of Physics -
Using optimally tuned range separated hybrid functionals in ground-state calculations: Consequences and caveats
NationallizenzAmerican Institute of Physics | 2013|Verlag: American Institute of Physics -
Hydrogen activation, diffusion, and clustering on CeO2(111): A DFT+U study
American Institute of Physics | 2014|Verlag: American Institute of Physics -
Molecule intrinsic minimal basis sets. II. Bonding analyses for Si4H6 and Si2 to Si10
NationallizenzAmerican Institute of Physics | 2004|Verlag: American Institute of Physics -
Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. II. Validation and comparison with experiments
American Institute of Physics | 2013|Verlag: American Institute of Physics -
Interaction and dynamics of (alkylamide + electrolyte) deep eutectics: Dependence on alkyl chain-length, temperature, and anion identity
American Institute of Physics | 2014|Verlag: American Institute of Physics
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