• WESSEX HOUSE 1.28

Accepting PhD Students

20102018
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Personal profile

Research interests

Vera investigates the electronic structure and functional principles of inorganic complexes with a focus on their spectroscopic, magnetic and redox properties, using a variety of quantum chemistry methods ranging from DFT to DMRG. She is particularly interested in transition metal catalysts that transform small and abundant molecules such as dinitrogen and water into useful chemicals. Through electronic structure analysis and in silico catalyst design, research in her group contributes to finding efficient catalysts that will make the utilization of such omnipresent molecules economically viable.

Willing to supervise PhD

PhD projects are available; if you are interested please get in touch to discuss funding options

Keywords

  • QD Chemistry

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

Water Chemical Compounds
Photosystem II Protein Complex Chemical Compounds
Oxygen Chemical Compounds
Manganese Chemical Compounds
Electronic structure Chemical Compounds
Ligands Chemical Compounds
dimers Physics & Astronomy
Metals Chemical Compounds

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Projects 2018 2018

RSC QBIC-IV

Deeth, R. & Krewald, V.

1/03/1831/10/18

Project: UK charity

Research Output 2010 2018

2 Citations

A valence-delocalised osmium dimer capable of dinitrogen photocleavage: ab initio insights into its electronic structure

Krewald, V. & González, L. 6 Apr 2018 In : Chemistry - A European Journal. 24, 20, p. 5112-5123 13 p.

Research output: Contribution to journalArticle

Osmium
osmium
Dimers
Electronic structure
dimers

Dinitrogen Photoactivation: Status Quo and Future Perspectives

Krewald, V. 19 Apr 2018 (Accepted/In press) In : Dalton Transactions .

Research output: Contribution to journalReview article

Open Access
Transition metals
Protonation
Excited states
Photons
Chemical activation
3 Citations
N electrons
Exchange coupling
biomimetics
Biomimetics
Manganese
1 Citations

Mono- and dinuclear Ni(I) products formed upon bromide abstraction from the Ni(I) ring-expanded NHC complex [Ni(6-Mes)(PPh3)Br]

Blackaby, W. J. M., Sabater, S., Poulten, R. C., Page, M. J., Folli, A., Krewald, V., Mahon, M. F., Murphy, D. M., Richards, E. & Whittlesey, M. K. 15 Jan 2018 In : Dalton Transactions . 47, p. 769-782 14 p.

Research output: Contribution to journalArticle

Open Access
File
phosphine
Carbon Monoxide
Bromides
Toluene
Dimers
1 Citations

Light-controlled gene expression in yeast using photocaged Cu2+

Kusen, P. M., Wandrey, G., Krewald, V., Holz, M., Berstenhorst, S. M. Z., Büchs, J. & Pietruszka, J. 20 Sep 2017 In : Journal of Biotechnology. 258, p. 117-125

Research output: Contribution to journalArticle

Yeasts
Online Systems
Gene Expression
Light
Neurobiology