364 results on '"Köhn, Andreas"'
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2. High-accuracy Rb$_{2}^+$ interaction potentials based on coupled cluster calculations
3. Capabilities and Limits of the Unitary Coupled-cluster Approach with Generalized Two-body Cluster Operators
4. MolecuSense: Using Force-Feedback Gloves for Creating and Interacting with Ball-and-Stick Molecules in VR
5. Limitations of coupled cluster approximations for highlyaccurate investigations of Rb$_2^+$
6. Towards photoassociation processes of ultracold rubidium trimers
7. On the distinguishable cluster approximation for triple excitations
8. Surface Hopping Dynamics Including Intersystem Crossing using the Algebraic Diagrammatic Construction Method
9. Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies
10. Cyclohepta[def]fluorene as a bistable molecule: first principles studies on its electronic structure and the effects of benzo-extension, substitution and solvation.
11. Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H + H$_2$O$_2$ $\rightarrow$ H$_2$O + OH
12. Coupled-Cluster Theories for Excited States
13. Air-Stable Dinuclear Complexes of Four-Coordinate ZnII and NiII Ions with a Radical Bridge: A Detailed Look at Redox Activity and Antiferromagnetic Coupling
14. Electronic structure of mononuclear and radical-bridged dinuclear cobalt(II) single-molecule magnets
15. The Reduction Behavior of Sulfurized Polyacrylonitrile (SPAN) in Lithium-Sulfur Batteries using a Carbonate Electrolyte: A Computational Study
16. Toward an efficient implementation of internally contracted coupled-cluster methods.
17. chARpack: The Chemistry Augmented Reality Package.
18. Air-Stable Dinuclear Complexes of Four-Coordinate ZnII and NiII Ions with a Radical Bridge: A Detailed Look at Redox Activity and Antiferromagnetic Coupling.
19. Performance Tests of the Second-Order Approximate Internally Contracted Multireference Coupled-Cluster Singles and Doubles Method icMRCC2
20. Exploring the differences in early-stage start-up valuation across countries: an institutional perspective
21. Der Neutestamentler Ernst Lohmeyer
22. A world of difference? The impact of corporate venture capitalists’ investment motivation on startup valuation
23. The determinants of startup valuation in the venture capital context: a systematic review and avenues for future research
24. Limitations of perturbative coupled-cluster approximations for highly accurate investigations of Rb2+.
25. Optical Properties of Assemblies of Molecules and Nanoparticles
26. Capabilities and limits of the unitary coupled-cluster approach with generalized two-body cluster operators
27. High-accuracy Rb2+ interaction potentials based on coupled-cluster calculations
28. MolecuSense: Using Force-Feedback Gloves for Creating and Interacting with Ball-and-Stick Molecules in VR
29. The Molpro quantum chemistry package.
30. Explicitly correlated internally contracted multireference coupled-cluster singles and doubles theory: ic-MRCCSD(F12∗)
31. Infrared study of the MoO3 doping efficiency in 4,4′-bis(N-carbazolyl)-1,1′-biphenyl (CBP)
32. Meaning and magnitude of the reduced density matrix cumulants
33. Adsorption Geometries and Electronic Properties of a Dipolar Phosphonate-Based Monolayer on the NiO Surface
34. Chasing Polycyclic Natural Products: 5/6/5‐ or 5/6/6‐Carbotricyclic Scaffold Construction via Stereodivergent Diels‐Alder Reaction of Chiral Hydrindanes and Their Boron Complexes
35. The second-order approximate internally contracted multireference coupled-cluster singles and doubles method icMRCC2.
36. Linear and quadratic internally contracted multireference coupled-cluster approximations.
37. The extended explicitly-correlated second-order approximate coupled-cluster singles and doubles ansatz suitable for response theory.
38. Thermally Averaged Magnetic Anisotropy Tensors via Machine Learning Based on Gaussian Moments
39. A generalized hybrid scheme for multireference methods
40. A worrisome failure of the CC2 coupled-cluster method when applied to ozone
41. Limitations of perturbative coupled-cluster approximations for highly accurate investigations of Rb2+
42. On the Accuracy of Mean-Field Spin–Orbit Operators for 3d Transition-Metal Systems
43. First-order properties from internally contracted multireference coupled-cluster theory with particular focus on hyperfine coupling tensors.
44. Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.
45. Towards photoassociation processes of ultracold rubidium trimers
46. Molpro quantum chemistry package
47. Optical Properties of Assemblies of Molecules and Nanoparticles
48. Chapter 2. Complete basis set results in electron correlation methods using F12 theory
49. Liquid Crystalline Benzoic Acid Ester MIDA Boronates: Synthesis and Mesomorphic Properties
50. Thermally Averaged Magnetic Anisotropy Tensors via Machine Learning Based on Gaussian Moments.
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