31 results on '"Martin, Jan M. L."'
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2. Thermally‐Activated Tunneling in the Two‐Water Bridge Catalyzed Tautomerization of Phosphinylidene Compounds**
3. Automatic generation of complementary auxiliary basis sets for explicitly correlated methods
4. Electron Correlation: Nature's Weird and Wonderful Chemical Glue
5. The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees
6. Empirical Double‐Hybrid Density Functional Theory: A ‘Third Way’ in Between WFT and DFT
7. W4‐17: A diverse and high‐confidence dataset of atomization energies for benchmarking high‐level electronic structure methods
8. Heats of formation of platonic hydrocarbon cages by means of high‐level thermochemical procedures
9. Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theory
10. The Rate-Determining Step is Dead. Long Live the Rate-Determining State!
11. Corrigendum: Borane-Lewis Base Complexes as Homolytic Hydrogen Atom Donors
12. ChemInform Abstract: Boron Heat of Formation Revisited: Relativistic Effects on the BF3 Atomization Energy.
13. Borane-Lewis Base Complexes as Homolytic Hydrogen Atom Donors
14. Photochemical Reduction of Carbon Dioxide Catalyzed by a Ruthenium‐Substituted Polyoxometalate
15. Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study
16. Effect of CO on the Oxidative Addition of Arene CH Bonds by Cationic Rhodium Complexes
17. A Coordination Controlled Aryl-Halide Oxidative Addition to Platinum
18. The Impact of Weak CH⋅⋅⋅Rh Interactions on the Structure and Reactivity oftrans-[Rh(CO)2(phosphine)2]+: An Experimental and Theoretical Examination
19. Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods
20. Proton Walk in the Aqueous Platinum Complex [TpPtMeCO] via a Sticky σ-Methane Ligand
21. The Unexpected Role of CO in CH Oxidative Addition by a Cationic Rhodium(I) Complex
22. IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part 1.
23. π‐Accepting‐Pincer Rhodium Complexes: An Unusual Coordination Mode of PCP‐Type Systems
24. Assessment of various density functionals and basis sets for the calculation of molecular anharmonic force fields
25. Density Functional Study of the Complexation Reaction of Sn(CH 3 ) 3 X (X = F, Cl, Br and I) with Halide Anions
26. Novel Azine Reactivity: Facile NN Bond Cleavage, CH Activation, and NN Coupling Mediated by RhI
27. Computational Study of a New Heck Reaction Mechanism Catalyzed by Palladium(II/IV) Species
28. Definitive heat of formation of methylenimine, CH2?NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory
29. On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment.
30. Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures.
31. Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods.
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