Projects per year
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
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 2015 2018
- 1 Finished
RUI: SUSCHEM: TOWARDS ACCURATE COMPUTATIONAL DYNAMICAL AND MECHANISTIC STUDIES OF TRANSITION METAL HOMOGENEOUS (PHOTO)CATALYSIS
National Science Foundation (NSF)
1/09/15 → 31/08/18
Project: Research
Photocatalysis
Computational methods
Transition metals
Catalysts
Catalysis
Research Output 2007 2018
- 667 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 journal › Article
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 journal › Article
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 journal › Article
Thermochemistry
thermochemistry
Transition metals
transition metals
chemistry
38
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 journal › Article
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 journal › Article
Discrete Fourier transforms
Density functional theory
density functional theory
Binding energy
embedding