1,065 results on '"Klopper, Wim"'
Search Results
202. Ge12{Fe(CO)3}8(μ-I)4: a germanium–iron cluster with Ge4, Ge2 and Ge units.
203. The formal combination of three singlet biradicaloid entities to a singlet hexaradicaloid metalloid Ge₁₄[Si(SiMe₃)₃] ₅[Li(THF)₂]₃ cluster
204. 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
205. Modeling the Histidine–Phenylalanine Interaction: The NH···π Hydrogen Bond of Imidazole·Benzene
206. ChemInform Abstract: [(Pb6I8){Mn(CO)5}6]2-: An Octahedral (M6X8)-Like Cluster with Inverted Bonding.
207. Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods
208. [(Pb6I8){Mn(CO)5}6]2–: An Octahedral (M6X8)-like Cluster with Inverted Bonding
209. Non-covalent Interactions of CO2 with Functional Groups of Metal–Organic Frameworks from a CCSD(T) Scheme Applicable to Large Systems
210. Unprecedented pseudo-ortho and ortho metallation of [2.2]paracyclophanes – a methyl group matters
211. Activation enthalpies and entropies of the atropisomerization of substituted butyl-bridged biphenyls
212. Tris(3,5-dimethylpyrazolyl)methane-Based Heterobimetallic Complexes that Contain Zn and CdTransition-Metal Bonds: Synthesis, Structures, and Quantum Chemical Calculations
213. Accurate computations of the structures and binding energies of the imidazole⋯benzene and pyrrole⋯benzene complexes
214. Implementation of the Bethe−Salpeter equation in the TURBOMOLE program.
215. Wave Function-Based Quantum Chemistry
216. Highly Accurate Ab Initio Computation of Thermochemical Data
217. Mechanochemistry: The Effect of Dynamics
218. Oriented Circular Dichroism Analysis of Chiral Surface-Anchored Metal-Organic Frameworks Grown by Liquid-Phase Epitaxy and upon Loading with Chiral Guest Compounds
219. ChemInform Abstract: Tethering for Selective Synthesis of 2,2′-Biphenols: The Acetal Method.
220. Effect of Proton Substitution by Alkali Ions on the Fluorescence Emission of Rhodamine B Cations in the Gas Phase
221. Characterization of Nonanuclear Europium and Gadolinium Complexes by Gas-Phase Luminescence Spectroscopy
222. Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands
223. Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory
224. Accuracy Assessment of GWStarting Points for Calculating Molecular Excitation Energies Using the Bethe–Salpeter Formalism
225. Substitutional Photoluminescence Modulation in Adducts of a Europium Chelate with a Range of Alkali Metal Cations: A Gas-Phase Study
226. ChemInform Abstract: ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes.
227. Single and Multiple Additions of Dibenzoylmethane onto Buckminsterfullerene (Eur. J. Org. Chem. 35/2013)
228. Tethering for Selective Synthesis of 2,2′-Biphenols: The Acetal Method
229. Communication: Two-component ring-coupled-cluster computation of the correlation energy in the random-phase approximation
230. Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space
231. Systematic construction of complementary auxiliary basis sets from and for atomic natural orbitals
232. Erratum: "GW quasiparticle energies of atoms in strong magnetic fields" [J. Chem. Phys. 150, 214112 (2019)].
233. Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory.
234. R12 methods, Gaussian geminals
235. ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes
236. Turbomole
237. Accurate non-covalent interactions with basis-set corrections from interference-corrected perturbation theory: comparison with the S22B database
238. Communication: Extension of a universal explicit electron correlation correction to general complete active spaces
239. A composite ‘density fitting + numerical integration’ approximation for electron-repulsion integrals
240. Communication: Explicitly-correlated second-order correction to the correlation energy in the random-phase approximation
241. Erratum to: Theoretical reference values for the AE6 and BH6 test sets from explicitly correlated coupled-cluster theory
242. Electron tunneling from electronically excited states of isolated bisdisulizole-derived trianion chromophores following UV absorption
243. Quantification of intramolecular cooperativity in polynuclear spin crossover Fe(ii) complexes by density functional theory calculations
244. Intrinsic fluorescence properties of rhodamine cations in gas-phase: triplet lifetimes and dispersed fluorescence spectra
245. Atropisomerization of di-para-substituted propyl-bridged biphenyl cyclophanes
246. A Boron-Fluorinated Tris(pyrazolyl)borate Ligand (FTp*) and Its Mono- and Dinuclear Copper Complexes [Cu(FTp*)2] and [Cu2(FTp*)2]: Synthesis, Structures, and DFT Calculations.
247. Differential Many-Body Cooperativity in Electronic Spectra of Oligonuclear Transition-Metal Complexes.
248. Benchmarking the Lithium–Thiophene Complex
249. Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties
250. The Plakotenins: Biomimetic Diels-Alder Reactions, Total Synthesis, Structural Investigations, and Chemical Biology
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