Remco W A Havenith (R W A Havenith, Remco Havenith)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 56

Top Venues

Molecules (Basel, Switzerland)

Dalton transactions (Cambridge, England : 2003)

Physical chemistry chemical physics : PCCP

Journal of chemical information and modeling

University of Groningen

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Groningen Jul 01 2014

Netherlands

assistant professor :: Theoretical Chemistry

Publications

Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling (2024)
Natália P Neme, Thomas la Cour Jansen, Remco W A Havenith
Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties. Physical chemistry chemical physics : PCCP 26 (7) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling 64 (10) (2024)
Ana V Cunha, Francesca Milocco, Edwin Otten, Remco W A Havenith
Changes in aromaticity of spin-crossover complexes: a signature for non-innocent ligands. Dalton transactions (Cambridge, England : 2003) (2024)
Natália P Neme, Thomas la Cour Jansen, Remco W A Havenith
Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties. Physical chemistry chemical physics : PCCP 26 (7) (2024)
Alexandre V Pinto, Pedro Ferreira, Ana V Cunha, Remco W A Havenith, Alexandre L Magalhães, Maria João Ramos, Pedro Alexandrino Fernandes
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods. Chemical science 15 (25) (2024)
Ana V Cunha, Francesca Milocco, Edwin Otten, Remco W A Havenith
Changes in aromaticity of spin-crossover complexes: a signature for non-innocent ligands. Dalton transactions (Cambridge, England : 2003) 53 (6) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling 64 (10) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling 64 (10) (2024)
Ana V Cunha, Francesca Milocco, Edwin Otten, Remco W A Havenith
Changes in aromaticity of spin-crossover complexes: a signature for non-innocent ligands. Dalton transactions (Cambridge, England : 2003) 53 (6) (2024)
Natália P Neme, Thomas la Cour Jansen, Remco W A Havenith
Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties. Physical chemistry chemical physics : PCCP (2024)
Natália P Neme, Thomas la Cour Jansen, Remco W A Havenith
Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties. Physical chemistry chemical physics : PCCP 26 (7) (2024)
Alexandre V Pinto, Pedro Ferreira, Ana V Cunha, Remco W A Havenith, Alexandre L Magalhães, Maria João Ramos, Pedro Alexandrino Fernandes
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods. Chemical science 15 (25) (2024)
Pedro Ferreira, Rui P P Neves, Filipa P Miranda, Ana V Cunha, Remco W A Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
DszA Catalyzes C-S Bond Cleavage through N 5 -Hydroperoxyl Formation. Journal of chemical information and modeling 64 (10) (2024)
Ana V Cunha, Francesca Milocco, Edwin Otten, Remco W A Havenith
Changes in aromaticity of spin-crossover complexes: a signature for non-innocent ligands. Dalton transactions (Cambridge, England : 2003) 53 (6) (2024)
Ana V Cunha, Remco W A Havenith, Jari van Gog, Freija De Vleeschouwer, Frank De Proft, Wouter A Herrebout
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling. Molecules (Basel, Switzerland) 28 (2) (2023)
Ana V Cunha, Remco W A Havenith, Jari van Gog, Freija De Vleeschouwer, Frank De Proft, Wouter A Herrebout
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling. Molecules (Basel, Switzerland) 28 (2) (2023)
Ana V Cunha, Remco W A Havenith, Jari van Gog, Freija De Vleeschouwer, Frank De Proft, Wouter A Herrebout
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling. Molecules (Basel, Switzerland) 28 (2) (2023)
Ana V Cunha, Remco W A Havenith, Jari van Gog, Freija De Vleeschouwer, Frank De Proft, Wouter A Herrebout
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling. Molecules (Basel, Switzerland) 28 (2) (2023)
Ana V Cunha, Remco W A Havenith, Jari van Gog, Freija De Vleeschouwer, Frank De Proft, Wouter A Herrebout
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling. Molecules (Basel, Switzerland) 28 (2) (2023)
Ana V Cunha, Remco W A Havenith, Jari van Gog, Freija De Vleeschouwer, Frank De Proft, Wouter A Herrebout
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling. Molecules (Basel, Switzerland) 28 (2) (2023)
Fabian Eller, Felix A Wenzel, Richard Hildner, Remco W A Havenith, Eva M Herzig
Spark Discharge Doping-Achieving Unprecedented Control over Aggregate Fraction and Backbone Ordering in Poly(3-hexylthiophene) Solutions. Small (Weinheim an der Bergstrasse, Germany) (2023)
Diego Sorbelli, Elisa Rossi, Remco W A Havenith, Johannes E M N Klein, Leonardo Belpassi, Paola Belanzoni
Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide. Inorganic chemistry 61 (19) (2022)
Isaac F Leach, Remco W A Havenith, Johannes E M N Klein
Revisiting Formal Copper(III) Complexes: Bridging Perspectives with Quasi - d 10 Configurations. European journal of inorganic chemistry 2022 (27) (2022)
Liliana Capulín Flores, Lucas A Paul, Inke Siewert, Remco W A Havenith, Noé Zúñiga-Villarreal, Edwin Otten
Neutral Formazan Ligands Bound to the fac -(CO) 3 Re(I) Fragment: Structural, Spectroscopic, and Computational Studies. Inorganic chemistry 61 (34) (2022)
Marit R Fiechter, Pi A B Haase, Nidal Saleh, Pascale Soulard, Benoît Tremblay, Remco W A Havenith, Rob G E Timmermans, Peter Schwerdtfeger, Jeanne Crassous, Benoît Darquié, Lukáš F Pašteka, Anastasia Borschevsky
Toward Detection of the Molecular Parity Violation in Chiral Ru(acac) 3 and Os(acac) 3 . The journal of physical chemistry letters 13 (42) (2022)
Gabriel G Balint-Kurti, Ria Broer, Peter H M Budzelaar, Hubertus J J van Dam, Fokke Dijkstra, Henk Eshuis, Gerrit C Groenenboom, Martyn F Guest, Remco W A Havenith, Anthony J H M Meijer, Tanja van Mourik, Zahid Rashid
Memorial Viewpoint for Joop van Lenthe. The journal of physical chemistry. A 126 (41) (2022)
Silène Engbers, Isaac F Leach, Remco W A Havenith, Johannes E M N Klein
Homolytic X-H Bond Cleavage at a Gold(III) Hydroxide: Insights into One-Electron Events at Gold. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (40) (2022)
Isaac F Leach, Remco W A Havenith, Johannes E M N Klein
Revisiting Formal Copper(III) Complexes: Bridging Perspectives with Quasi - d 10 Configurations. European journal of inorganic chemistry 2022 (27) (2022)
Ilias Patmanidis, Paulo Cesar Telles de Souza, Selim Sami, Remco W A Havenith, Alex H de Vries, Siewert-Jan Marrink
Modelling structural properties of cyanine dye nanotubes at coarse-grained level. Nanoscale advances 4 (14) (2022)
Evgeniya A Trifonova, Isaac F Leach, Winfried B de Haas, Remco W A Havenith, Moniek Tromp, Johannes E M N Klein
Spectroscopic Manifestations and Implications for Catalysis of Quasi-d 10 Configurations in Formal Gold(III) Complexes. Angewandte Chemie (International ed. in English) 62 (3) (2022)
Selim Sami, Riccardo Alessandri, Jeff B W Wijaya, Fabian Grünewald, Alex H de Vries, Siewert-Jan Marrink, Ria Broer, Remco W A Havenith
Strategies for Enhancing the Dielectric Constant of Organic Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (45) (2022)
Evgeniya A Trifonova, Isaac F Leach, Winfried B de Haas, Remco W A Havenith, Moniek Tromp, Johannes E M N Klein
Spectroscopic Manifestations and Implications for Catalysis of Quasi-d 10 Configurations in Formal Gold(III) Complexes. Angewandte Chemie (International ed. in English) (2022)
R S Koen Houtsma, Mihaela Enache, Remco W A Havenith, Meike Stöhr
Length-dependent symmetry in narrow chevron-like graphene nanoribbons. Nanoscale advances 4 (17) (2022)
Isaac F Leach, Diego Sorbelli, Leonardo Belpassi, Paola Belanzoni, Remco W A Havenith, Johannes E M N Klein
How reduced are nucleophilic gold complexes? Dalton transactions (Cambridge, England : 2003) (2022)
Shahriar N Khan, Alexa Griffith, Frank de Proft, Evangelos Miliordos, Remco W A Havenith, Dmytro Bykov, Ana V Cunha
[Fe 4 S 4 ] cubane in sulfite reductases: new insights into bonding properties and reactivity. Physical chemistry chemical physics : PCCP 24 (31) (2022)
Evgeniya A Trifonova, Isaac F Leach, Winfried B de Haas, Remco W A Havenith, Moniek Tromp, Johannes E M N Klein
Spectroscopic Manifestations and Implications for Catalysis of Quasi-d 10 Configurations in Formal Gold(III) Complexes. Angewandte Chemie (International ed. in English) 62 (3) (2022)
Isaac F Leach, Leonardo Belpassi, Paola Belanzoni, Remco W A Havenith, Johannes E M N Klein
Efficient Computation of Geometries for Gold Complexes. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (12) (2021)
Selim Sami, Maximilian F S J Menger, Shirin Faraji, Ria Broer, Remco W A Havenith
Q-Force: Quantum Mechanically Augmented Molecular Force Fields. Journal of chemical theory and computation 17 (8) (2021)
Mira Holzheimer, Jaap S Sinninghe Damsté, Stefan Schouten, Remco W A Havenith, Ana V Cunha, Adriaan J Minnaard
Total Synthesis of the Alleged Structure of Crenarchaeol Enables Structure Revision*. Angewandte Chemie (International ed. in English) 60 (32) (2021)
Patrick W Fowler, Remco W A Havenith
Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents. The journal of physical chemistry. A 125 (29) (2021)
Jingjin Dong, Selim Sami, Daniel M Balazs, Riccardo Alessandri, Fatimeh Jahani, Li Qiu, Siewert-Jan Marrink, Remco W A Havenith, Jan C Hummelen, Maria Antonietta Loi, Giuseppe Portale
Fullerene derivatives with oligoethylene-glycol side chains: an investigation on the origin of their outstanding transport properties. Journal of materials chemistry. C 9 (45) (2021)
José Augusto Berrocal, G Henrieke Heideman, Bas F M de Waal, Mihaela Enache, Remco W A Havenith, Meike Stöhr, E W Meijer, Ben L Feringa
Engineering Long-Range Order in Supramolecular Assemblies on Surfaces: The Paramount Role of Internal Double Bonds in Discrete Long-Chain Naphthalenediimides. Journal of the American Chemical Society 142 (8) (2020)
Tom Speelman, Ana V Cunha, R K Kathir, Remco W A Havenith
Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit. Journal of computational chemistry 42 (5) (2020)
Selim Sami, Riccardo Alessandri, Ria Broer, Remco W A Havenith
How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductors: Molecular Origin and Frequency Dependence. ACS applied materials & interfaces 12 (15) (2020)
Francesca Milocco, Folkert de Vries, Imke M A Bartels, Remco W A Havenith, Jordi Cirera, Serhiy Demeshko, Franc Meyer, Edwin Otten
Electronic Control of Spin-Crossover Properties in Four-Coordinate Bis(formazanate) Iron(II) Complexes. Journal of the American Chemical Society 142 (47) (2020)
R K Kathir, Coen de Graaf, Ria Broer, Remco W A Havenith
Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction. Journal of chemical theory and computation 16 (5) (2020)
Maria A Izquierdo, Francesco Tarantelli, Ria Broer, Giovanni Bistoni, Leonardo Belpassi, Remco W A Havenith
Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes. European journal of inorganic chemistry 2020 (13) (2020)
T P Straatsma, Ria Broer, Shirin Faraji, Remco W A Havenith, L E Aguilar Suarez, R K Kathir, Meilani Wibowo, Coen de Graaf
GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems. The Journal of chemical physics 152 (6) (2020)
Jian Liu, Bas van der Zee, Riccardo Alessandri, Selim Sami, Jingjin Dong, Mohamad I Nugraha, Alex J Barker, Sylvia Rousseva, Li Qiu, Xinkai Qiu, Nathalie Klasen, Ryan C Chiechi, Derya Baran, Mario Caironi, Thomas D Anthopoulos, Giuseppe Portale, Remco W A Havenith, Siewert-Jan Marrink, Jan C Hummelen, L Jan Anton Koster
N-type organic thermoelectrics: demonstration of ZT > 0.3. Nature communications 11 (1) (2020)
Maria A Izquierdo, Ria Broer, Remco W A Havenith
Theoretical Study of the Charge Transfer Exciton Binding Energy in Semiconductor Materials for Polymer:Fullerene-Based Bulk Heterojunction Solar Cells. The journal of physical chemistry. A 123 (6) (2019)
Alexandr Zaykov, Petr Felkel, Eric A Buchanan, Milena Jovanovic, Remco W A Havenith, R K Kathir, Ria Broer, Zdeněk Havlas, Josef Michl
Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model. Journal of the American Chemical Society 141 (44) (2019)
Joseph L Ryerson, Alexandr Zaykov, Luis E Aguilar Suarez, Remco W A Havenith, Brian R Stepp, Paul I Dron, Jiří Kaleta, Akin Akdag, Simon J Teat, Thomas F Magnera, John R Miller, Zdeněk Havlas, Ria Broer, Shirin Faraji, Josef Michl, Justin C Johnson
Structure and photophysics of indigoids for singlet fission: Cibalackrot. The Journal of chemical physics 151 (18) (2019)
Selim Sami, Pi A B Haase, Riccardo Alessandri, Ria Broer, Remco W A Havenith
Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study. The journal of physical chemistry. A 122 (15) (2018)
Johannes E M N Klein, Remco W A Havenith, Gerald Knizia
The Pentagonal-Pyramidal Hexamethylbenzene Dication: Many Shades of Coordination Chemistry at Carbon. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (47) (2018)
Machteld E Kamminga, Gilles A de Wijs, Remco W A Havenith, Graeme R Blake, Thomas T M Palstra
The Role of Connectivity on Electronic Properties of Lead Iodide Perovskite-Derived Compounds. Inorganic chemistry 56 (14) (2017)

Remco W A Havenith.css-eqlu8i{font-size:small;padding-left:4px;} (R W A Havenith, Remco Havenith)

Publication Activity (10 Years)

Top Topics

Top Venues

Remco W A Havenith (R W A Havenith, Remco Havenith)