Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit

Anthralin Chemical Compounds
Community Psychiatry Chemical Compounds
Cystaphos Chemical Compounds
solvation Physics & Astronomy
Solvation Engineering & Materials Science
Density functional theory Chemical Compounds
Hemerythrin Chemical Compounds
energy Physics & Astronomy

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Projects 2005 2019

Research Output 1967 2017

Assessment of electronic structure methods for the determination of the ground spin states of Fe(II), Fe(III) and Fe(IV) complexes

Verma, P., Varga, Z., Klein, J. E. M. N., Cramer, C. J., Que, L. & Truhlar, D. G. 2017 In : Physical Chemistry Chemical Physics. 19, 20, p. 13049-13069 21 p.

Research output: Contribution to journalArticle

approximation
functionals
gradients
Electron energy levels
Electronic structure

Atomic Layer Deposition in a Metal-Organic Framework: Synthesis, Characterization, and Performance of a Solid Acid

Rimoldi, M., Bernales, V., Borycz, J., Vjunov, A., Gallington, L. C., Platero-Prats, A. E., Kim, I. S., Fulton, J. L., Martinson, A. B. F., Lercher, J. A., Chapman, K. W., Cramer, C. J., Gagli, L., Hupp, J. T. & Farha, O. K. Feb 14 2017 In : Chemistry of Materials. 29, 3, p. 1058-1068 11 p.

Research output: Contribution to journalArticle

Aluminum
Metals
Biotechnology
Atomic layer deposition
Butylene Glycols

Atomistic approach toward selective photocatalytic oxidation of a mustard-gas simulant: A case study with heavy-chalcogen-containing PCN-57 analogues

Goswami, S., Miller, C. E., Logsdon, J. L., Buru, C. T., Wu, Y. L., Bowman, D. N., Islamoglu, T., Asiri, A. M., Cramer, C. J., Wasielewski, M. R., Hupp, J. T. & Farha, O. K. Jun 14 2017 In : ACS Applied Materials and Interfaces. 9, 23, p. 19535-19540 6 p.

Research output: Contribution to journalArticle

Oxidation
Metals
Avian Leukosis
Absorption spectroscopy
Gases