• 650 Citations
  • 9 h-Index
20072018
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Fingerprint Dive into the research topics where Hendrik Eshuis is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

Density functional theory Chemical Compounds
approximation Physics & Astronomy
Dimers Chemical Compounds
Transition metals Chemical Compounds
Discrete Fourier transforms Chemical Compounds
Molecules Chemical Compounds
Alkanes Chemical Compounds
Ruthenium Chemical Compounds

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Projects 2015 2018

Photocatalysis
Computational methods
Transition metals
Catalysts
Catalysis

Research Output 2007 2018

  • 650 Citations
  • 9 h-Index
  • 12 Article

Describing transition metal homogeneous catalysis using the random phase approximation

Chedid, J., Ferrara, N. M. & Eshuis, H., 1 Nov 2018, In : Theoretical Chemistry Accounts. 137, 11, 158.

Research output: Contribution to journalArticleResearchpeer-review

phosphine
Catalysis
catalysis
Transition metals
Density functional theory

Synthesis and computational analysis of conformationally restricted [3.2.2]- and [3.2.1]-3-azabicyclic diamines

Tummalapalli, S. R., Bhat, R., Waitt, C., Eshuis, H. & Rotella, D., 1 Jan 2017, In : Tetrahedron Letters. 58, 43, p. 4087-4089 3 p.

Research output: Contribution to journalArticleResearchpeer-review

Organic Chemistry
Diamines
Pharmaceutical Chemistry
Scaffolds
Computer Simulation
8 Citations (Scopus)

Thermochemistry and Geometries for Transition-Metal Chemistry from the Random Phase Approximation

Waitt, C., Ferrara, N. M. & Eshuis, H., 8 Nov 2016, In : Journal of Chemical Theory and Computation. 12, 11, p. 5350-5360 11 p.

Research output: Contribution to journalArticleResearchpeer-review

Thermochemistry
thermochemistry
Transition metals
transition metals
chemistry
35 Citations (Scopus)

Analytical first-order molecular properties and forces within the adiabatic connection random phase approximation

Burow, A. M., Bates, J. E., Furche, F. & Eshuis, H., 14 Jan 2014, In : Journal of Chemical Theory and Computation. 10, 1, p. 180-194 15 p.

Research output: Contribution to journalArticleResearchpeer-review

molecular properties
Dipole moment
Dimers
Transition metal compounds
Derivatives
15 Citations (Scopus)

FDE-vdW: A van der Waals inclusive subsystem density-functional theory

Kevorkyants, R., Eshuis, H. & Pavanello, M., 28 Jul 2014, In : Journal of Chemical Physics. 141, 4, 044127.

Research output: Contribution to journalArticleResearchpeer-review

Discrete Fourier transforms
Density functional theory
density functional theory
Binding energy
embedding