Theoretical Study of the Charge Transfer Exciton Binding Energy in Semiconductor Materials for Polymer:Fullerene-Based Bulk Heterojunction Solar Cells

af Izquierdo, Maria A., Broer, Ria, Havenith, Remco W. A.
Udgivet i J Phys Chem A (2019)

How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductors: Molecular Origin and Frequency Dependence

af Sami, Selim, Alessandri, Riccardo, Broer, Ria, Havenith, Remco W. A.
Udgivet i ACS Appl Mater Interfaces (2020)

The Pentagonal‐Pyramidal Hexamethylbenzene Dication: Many Shades of Coordination Chemistry at Carbon

af Klein, Johannes E. M. N., Havenith, Remco W. A., Knizia, Gerald
Udgivet i Chemistry (2018)

Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction

af Kathir, R. K., de Graaf, Coen, Broer, Ria, Havenith, Remco W. A.
Udgivet i J Chem Theory Comput (2020)

Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit

af Speelman, Tom, Cunha, Ana V., Kathir, R. K., Havenith, Remco W. A.
Udgivet i J Comput Chem (2020)

Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study

af Sami, Selim, Haase, Pi A.B., Alessandri, Riccardo, Broer, Ria, Havenith, Remco W.A.
Udgivet i J Phys Chem A (2018)

Coverage-Controlled Polymorphism of H-Bonded Networks on Au(111)

af Schmidt, Nico, Enache, Mihaela, Maggini, Laura, Havenith, Remco W.A., Bonifazi, Davide, Stöhr, Meike
Udgivet i J Phys Chem C Nanomater Interfaces (2019)

Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N‐Heterocyclic Carbene Complexes

af Izquierdo, Maria A., Tarantelli, Francesco, Broer, Ria, Bistoni, Giovanni, Belpassi, Leonardo, Havenith, Remco W. A.
Udgivet i Eur J Inorg Chem (2020)

Bulk Heterojunction Morphologies with Atomistic Resolution from Coarse-Grain Solvent Evaporation Simulations

af Alessandri, Riccardo, Uusitalo, Jaakko J., de Vries, Alex H., Havenith, Remco W. A., Marrink, Siewert J.
Udgivet i J Am Chem Soc (2017)

Efficient Computation of Geometries for Gold Complexes

af Leach, Isaac F., Belpassi, Leonardo, Belanzoni, Paola, Havenith, Remco W. A., Klein, Johannes E. M. N.
Udgivet i Chemphyschem (2021)

Improving the force field description of tyrosine-choline cation-π interactions: QM investigation of phenol-N(Me)(4)(+) interactions

af Khan, Hanif M., Grauffel, Cédric, Broer, Ria, MacKerell, Alexander D., Havenith, Remco W. A., Reuter, Nathalie
Udgivet i J Chem Theory Comput (2016)

Biobased Chemicals: 1,2,4-Benzenetriol, Selective Deuteration and Dimerization to Bifunctional Aromatic Compounds

af Randolph, Caelan, Lahive, Ciaran W., Sami, Selim, Havenith, Remco W. A., Heeres, Hero J., Deuss, Peter J.
Udgivet i Org Process Res Dev (2018)

The Role of Connectivity on Electronic Properties of Lead Iodide Perovskite-Derived Compounds

af Kamminga, Machteld E., de Wijs, Gilles A., Havenith, Remco W. A., Blake, Graeme R., Palstra, Thomas T.M.
Udgivet i Inorg Chem (2017)

Electronic Control of Spin-Crossover Properties in Four-Coordinate Bis(formazanate) Iron(II) Complexes

af Milocco, Francesca, de Vries, Folkert, Bartels, Imke M. A., Havenith, Remco W. A., Cirera, Jordi, Demeshko, Serhiy, Meyer, Franc, Otten, Edwin
Udgivet i J Am Chem Soc (2020)

The rational design of a Au(I) precursor for focused electron beam induced deposition

af Marashdeh, Ali, Tiesma, Thiadrik, van Velzen, Niels J C, Harder, Sjoerd, Havenith, Remco W A, De Hosson, Jeff T M, van Dorp, Willem F
Udgivet i Beilstein J Nanotechnol (2017)

Ultrafast electron and hole transfer in bulk heterojunctions of low-bandgap polymers

af Kozlov Oleg V., Pavelyev Vlad G., de Gier Hilde D., Havenith Remco W. A., van Loosdrecht Paul H.M., Hummelen Jan C., Pshenichnikov Maxim S.
Udgivet 2016-12-01

Engineering Long-Range Order in Supramolecular Assemblies on Surfaces: The Paramount Role of Internal Double Bonds in Discrete Long-Chain Naphthalenediimides

af Berrocal, José Augusto, Heideman, G. Henrieke, de Waal, Bas F. M., Enache, Mihaela, Havenith, Remco W. A., Stöhr, Meike, Meijer, E. W., Feringa, Ben L.
Udgivet i J Am Chem Soc (2020)

Comparing the Self‐Assembly of Sexiphenyl‐Dicarbonitrile on Graphite and Graphene on Cu(111)

af Schmidt, Nico, Li, Jun, Gottardi, Stefano, Moreno‐Lopez, Juan Carlos, Enache, Mihaela, Monjas, Leticia, van der Vlag, Ramon, Havenith, Remco W. A., Hirsch, Anna K. H., Stöhr, Meike
Udgivet i Chemistry (2019)

Low-Dimensional Metal–Organic Coordination Structures on Graphene

af Li, Jun, Solianyk, Leonid, Schmidt, Nico, Baker, Brian, Gottardi, Stefano, Moreno Lopez, Juan Carlos, Enache, Mihaela, Monjas, Leticia, van der Vlag, Ramon, Havenith, Remco W. A., Hirsch, Anna K. H., Stöhr, Meike
Udgivet i J Phys Chem C Nanomater Interfaces (2019)

N-type organic thermoelectrics: demonstration of ZT > 0.3

af Liu, Jian, van der Zee, Bas, Alessandri, Riccardo, Sami, Selim, Dong, Jingjin, Nugraha, Mohamad I., Barker, Alex J., Rousseva, Sylvia, Qiu, Li, Qiu, Xinkai, Klasen, Nathalie, Chiechi, Ryan C., Baran, Derya, Caironi, Mario, Anthopoulos, Thomas D., Portale, Giuseppe, Havenith, Remco W. A., Marrink, Siewert J., Hummelen, Jan C., Koster, L. Jan Anton
Udgivet i Nat Commun (2020)