53 results on '"Klopper, Wim"'
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2. Non-Palindromic C∧C∧P Platinum and Palladium Pincer Complexes Showing Intense Phosphorescence via Direct Spin-Forbidden S0 → T1 Excitation
3. Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic Fields
4. Investigation of the Coordination Chemistry of a Bisamidinate Ferrocene Ligand with Cu, Ag, and Au
5. Structures of Small Tantalum Cluster Anions: Experiment and Theory
6. 18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects
7. Correction to Explicitly Correlated Dispersion and Exchange Dispersion Energies in Symmetry-Adapted Perturbation Theory
8. [BMIm]2[Mn(CO)3(GeI3)3]: Carbonyl Compound with an {MnGe3} Cluster Unit
9. Structural Phase Transition of Ruthenium Cluster Hydrides
10. Explicitly Correlated Dispersion and Exchange Dispersion Energies in Symmetry-Adapted Perturbation Theory
11. Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe–Salpeter Formalism
12. Vibronic Coupling Analysis of the Ligand-Centered Phosphorescence of Gas-Phase Gd(III) and Lu(III) 9-Oxophenalen-1-one Complexes
13. Vibrational Coherence Controls Molecular Fragmentation: Ultrafast Photodynamics of the [Ag2Cl]+ Scaffold
14. Approaching Phosphorescence Lifetimes in Solution: The Two-Component Polarizable-Embedding Approximate Coupled-Cluster Method
15. Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes
16. Gas-Phase Photoluminescence Characterization of Stoichiometrically Pure Nonanuclear Lanthanoid Hydroxo Complexes Comprising Europium or Gadolinium
17. Ab Initio Study of the Adsorption of Small Molecules on Metal–Organic Frameworks with Oxo-centered Trimetallic Building Units: The Role of the Undercoordinated Metal Ion
18. Modeling the Histidine–Phenylalanine Interaction: The NH···π Hydrogen Bond of Imidazole·Benzene
19. [(Pb6I8){Mn(CO)5}6]2–: An Octahedral (M6X8)-like Cluster with Inverted Bonding
20. Non-covalent Interactions of CO2 with Functional Groups of Metal–Organic Frameworks from a CCSD(T) Scheme Applicable to Large Systems
21. Mechanochemistry: The Effect of Dynamics
22. Effect of Proton Substitution by Alkali Ions on the Fluorescence Emission of Rhodamine B Cations in the Gas Phase
23. Characterization of Nonanuclear Europium and Gadolinium Complexes by Gas-Phase Luminescence Spectroscopy
24. Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands
25. Substitutional Photoluminescence Modulation in Adducts of a Europium Chelate with a Range of Alkali Metal Cations: A Gas-Phase Study
26. ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes
27. Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties
28. Structure Revision of Plakotenin Based on Computational Investigation of Transition States and Spectroscopic Properties
29. Explicitly Correlated Electrons in Molecules
30. Experimental and Theoretical Study of Novel Luminescent Di-, Tri-, and Tetranuclear Copper Triazole Complexes
31. Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements
32. The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 Cluster
33. Ridge-Tile-like Chiral Topology: Synthesis, Resolution, and Complete Chiroptical Characterization of Enantiomers of Edge-Sharing Binuclear Square Planar Complexes of Ni(II) Bearing Achiral Ligands
34. Synthesis of a Pentasilapropellane. Exploring the Nature of a Stretched Silicon−Silicon Bond in a Nonclassical Molecule
35. Accurate Coupled Cluster Calculations of the Reaction Barrier Heights of Two CH3• + CH4 Reactions
36. Unexpected Trimerization of Pyrazine in the Coordination Sphere of Low-Valent Titanocene Fragments
37. Magnetically Induced Current Densities in Aromatic, Antiaromatic, Homoaromatic, and Nonaromatic Hydrocarbons
38. Expanding the Coordination Cage: A Ruthenium(II)−Polypyridine Complex Exhibiting High Quantum Yields under Ambient Conditions
39. Origin of the Argon Nanocoating Shift in the OH Stretching Fundamental of n-Propanol: A Combined Experimental and Quantum Chemical Study
40. Strong N−H···π Hydrogen Bonding in Amide−Benzene Interactions
41. Calculation of Magnetically Induced Currents in Hydrocarbon Nanorings
42. First-Principles Study of Single and Multiple Dihydrogen Interaction with Lithium Containing Benzene Molecules
43. Accurate Benchmark Calculation of the Reaction Barrier Height for Hydrogen Abstraction by the Hydroperoxyl Radical from Methane. Implications for CnH2n+2 where n = 2 → 4
44. Comment on “Kinetics and Mechanistic Model for Hydrogen Spillover on Bridged Metal-Organic Frameworks”
45. Ab Initio Modeling of Methanol Interaction with Single-Walled Carbon Nanotubes
46. Basis Set Limit Coupled Cluster Study of H-Bonded Systems and Assessment of More Approximate Methods
47. Basis Set Limit CCSD(T) Harmonic Vibrational Frequencies
48. Interaction of Dihydrogen with Small and Light Molecules
49. Density Functional Theory Study of the Formation of Naphthalene and Phenanthrene from Reactions of Phenyl with Vinyl- and Phenylacetylene
50. Global Analytical Potential Energy Surface for Large Amplitude Nuclear Motions in Ammonia
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