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

por Izquierdo, Maria A., Broer, Ria, Havenith, Remco W. A.
Publicado 2019

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

por Sami, Selim, Alessandri, Riccardo, Broer, Ria, Havenith, Remco W. A.
Publicado 2020

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

por Klein, Johannes E. M. N., Havenith, Remco W. A., Knizia, Gerald
Publicado 2018

Length-dependent symmetry in narrow chevron-like graphene nanoribbons

por Houtsma, R. S. Koen, Enache, Mihaela, Havenith, Remco W. A., Stöhr, Meike
Publicado 2022

Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction

por Kathir, R. K., de Graaf, Coen, Broer, Ria, Havenith, Remco W. A.
Publicado 2020

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

por Speelman, Tom, Cunha, Ana V., Kathir, R. K., Havenith, Remco W. A.
Publicado 2020

Revisiting Formal Copper(III) Complexes: Bridging Perspectives with Quasi‐d ( 10 ) Configurations

por Leach, Isaac F., Havenith, Remco W. A., Klein, Johannes E. M. N.
Publicado 2022

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

por Sami, Selim, Haase, Pi A.B., Alessandri, Riccardo, Broer, Ria, Havenith, Remco W.A.
Publicado 2018

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

por Schmidt, Nico, Enache, Mihaela, Maggini, Laura, Havenith, Remco W.A., Bonifazi, Davide, Stöhr, Meike
Publicado 2019

Q-Force: Quantum Mechanically Augmented Molecular Force Fields

por Sami, Selim, Menger, Maximilian F.S.J, Faraji, Shirin, Broer, Ria, Havenith, Remco W. A.
Publicado 2021

Homolytic X‐H Bond Cleavage at a Gold(III) Hydroxide: Insights into One‐Electron Events at Gold

por Engbers, Silène, Leach, Isaac F., Havenith, Remco W. A., Klein, Johannes E. M. N.
Publicado 2022

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

por Izquierdo, Maria A., Tarantelli, Francesco, Broer, Ria, Bistoni, Giovanni, Belpassi, Leonardo, Havenith, Remco W. A.
Publicado 2020

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

por Alessandri, Riccardo, Uusitalo, Jaakko J., de Vries, Alex H., Havenith, Remco W. A., Marrink, Siewert J.
Publicado 2017

Efficient Computation of Geometries for Gold Complexes

por Leach, Isaac F., Belpassi, Leonardo, Belanzoni, Paola, Havenith, Remco W. A., Klein, Johannes E. M. N.
Publicado 2021

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

por Randolph, Caelan, Lahive, Ciaran W., Sami, Selim, Havenith, Remco W. A., Heeres, Hero J., Deuss, Peter J.
Publicado 2018

Total Synthesis of the Alleged Structure of Crenarchaeol Enables Structure Revision

por Holzheimer, Mira, Sinninghe Damsté, Jaap S., Schouten, Stefan, Havenith, Remco W. A., Cunha, Ana V., Minnaard, Adriaan J.
Publicado 2021

Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide

por Sorbelli, Diego, Rossi, Elisa, Havenith, Remco W.A., Klein, Johannes E.M.N., Belpassi, Leonardo, Belanzoni, Paola
Publicado 2022

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

por Kamminga, Machteld E., de Wijs, Gilles A., Havenith, Remco W. A., Blake, Graeme R., Palstra, Thomas T.M.
Publicado 2017

Modelling structural properties of cyanine dye nanotubes at coarse-grained level

por Patmanidis, Ilias, Souza, Paulo C. T., Sami, Selim, Havenith, Remco W. A., de Vries, Alex H., Marrink, Siewert J.
Publicado 2022

How reduced are nucleophilic gold complexes?

por Leach, Isaac F., Sorbelli, Diego, Belpassi, Leonardo, Belanzoni, Paola, Havenith, Remco W. A., Klein, Johannes E. M. N.
Publicado 2022