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2. Structure and Electronic States of a Graphene Double Vacancy with an Embedded Si Dopant

3. Facile Access to Organostibines via Selective Organic Superbase Catalyzed Antimony‐Carbon Protonolysis.

4. pi-pi Stacking between Polyaromatic Hydrocarbon Sheets beyond Dispersion Interactions

5. The Electronic States of a Double Carbon Vacancy Defect in Pyrene: A Model Study for Graphene

6. A multi‐descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π‐Conjugation versus charge effects.

20. A theoretical adsorption study of the inner‐core and outer‐core hydrated alkali metal cation–circumcoronene complexes.

21. Resonance Raman spectra and excited state properties of methyl viologen and its radical cation from time‐dependent density functional theory.

22. Electronic Excitation Processes in Single-Strand and Double-Strand DNA: A Computational Approach

25. Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysis.

30. Reaction mechanism for fluorination reactions with hydroxylated alumina sites: Pathways promoting aluminum combustion.

32. Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers.

34. Stress-altered aluminum powder dust combustion.

35. The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.

36. Benchmark ab initio calculations on intermolecular structures and the exciton character of poly(p-phenylenevinylene) dimers.

39. Spin-density calculation via the graphical unitary group approach.

40. High-Level Quantum Chemical Methods for the Study of Photochemical Processes

43. Fluorescence and Phosphorescence of Flavylium Cation Analogues of Anthocyanins

44. Structural stability and the low‐lying singlet and triplet states of BN‐n‐acenes, n = 1–7.

49. A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex.

50. Intramolecular frustrated Lewis pair mediated approach to the C=O bond activation and cleavage of carbon dioxide.

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