Havenith, Remco W. A.: search on Z-Library

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1

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

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

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 1.20 MB

english, 2018

2

The Influence of Side-Chain Position on the Optoelectronic Properties of a Red-Emitting Conjugated Polymer

Lu, Li Ping, Finlayson, Chris E., Kabra, Dinesh, Albert-Seifried, Sebastian, Song, Myoung Hoon, Havenith, Remco W. A., Tu, Guoli, Huck, Wilhelm T. S., Friend, Richard H.

Journal:

Macromolecular Chemistry and Physics

Year:

2013

Language:

english

File:

PDF, 842 KB

english, 2013

3

Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model

Zaykov, Alexandr, Felkel, Petr, Buchanan, Eric A., Jovanovic, Milena, Havenith, Remco W. A., Kathir, R K, Broer, Ria, Havlas, Zdeněk, Michl, Josef

Journal:

Journal of the American Chemical Society

Year:

2019

Language:

english

File:

PDF, 7.57 MB

english, 2019

4

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

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

Journal:

European Journal of Inorganic Chemistry

Year:

2020

Language:

english

File:

PDF, 1.35 MB

english, 2020

5

Strategy for Enhancing the Dielectric Constant of Organic Semiconductors Without Sacrificing Charge Carrier Mobility and Solubility

Torabi, Solmaz, Jahani, Fatemeh, Van Severen, Ineke, Kanimozhi, Catherine, Patil, Satish, Havenith, Remco W. A., Chiechi, Ryan C., Lutsen, Laurence, Vanderzande, Dirk J. M., Cleij, Thomas J., Hummelen

Journal:

Advanced Functional Materials

Year:

2015

Language:

english

File:

PDF, 995 KB

english, 2015

6

Explorative computational study of the singlet fission process

Havenith, Remco W.A., de Gier, Hilde D., Broer, Ria

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 1.17 MB

english, 2012

7

SPIE Proceedings [SPIE SPIE Organic Photonics + Electronics - San Diego, California, United States (Sunday 9 August 2015)] Organic Photovoltaics XVI - On the relation between local and charge-transfer exciton binding energies in organic photovoltaic materials

Kafafi, Zakya H., Lane, Paul A., Samuel, Ifor D. W., de Gier, Hilde D., Broer, Ria, Havenith, Remco W. A.

Year:

2015

Language:

english

File:

PDF, 3.03 MB

english, 2015

8

Ab initio calculations on various sialic acids provide valuable information about sialic acid-specific enzymes

Joop H van Lenthe, Diet H.W den Boer, Remco W.A Havenith, Roland Schauer, Hans-Christian Siebert

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 292 KB

english, 2004

9

Conceptual chemistry approach towards the support effect in supported vanadium oxides: Valence bond calculations on the ionicity of vanadium catalysts

Tim Fievez, Frank De Proft, Paul Geerlings, Bert M. Weckhuysen, Remco W.A. Havenith

Journal:

Catalysis Today

Year:

2011

Language:

english

File:

PDF, 598 KB

english, 2011

10

Influence of push–pull group substitution patterns on excited state properties of donor–acceptor co-monomers and their trimers

de Gier, Hilde D., Rietberg, Bernd J., Broer, Ria, Havenith, Remco W.A.

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 1.60 MB

english, 2014

11

ChemInform Abstract: Valence Bond Theory in Heterocyclic Chemistry

Rashid, Zahid, Broer, Ria, van Lenthe, Joop H., Havenith, Remco W. A.

Journal:

Year:

2015

File:

PDF, 12 KB

2015

12

Condensation reactions of α-amino-zincenamines with aldehydes; Application to indolizines

Elmo Wissing, Remco W.A. Havenith, Jaap Boersma, Gerard van Koten

Journal:

Tetrahedron Letters

Year:

1992

Language:

english

File:

PDF, 236 KB

english, 1992

13

Selection rules for ring currents in radial π systems: trannulene substructures in hydrogenated fullerene cages

Havenith, Remco W. A., Rassat, André, Fowler, Patrick W.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2002

Language:

english

File:

PDF, 551 KB

english, 2002

14

Using Raman spectroscopy to understand the origin of the phase transition observed in the crystalline sulfur based amino acid l-methionine

Lima, José A., Freire, Paulo T.C., Melo, Francisco E.A., Filho, J. Mendes, Fischer, Jennifer, Havenith, Remco W.A., Broer, Ria, Bordallo, Heloisa N.

Journal:

Vibrational Spectroscopy

Year:

2013

Language:

english

File:

PDF, 1.27 MB

english, 2013

15

Stabilization of the Low-Spin State in a Mononuclear Iron(II) Complex and High-Temperature Cooperative Spin Crossover Mediated by Hydrogen Bonding

Zheng, Sipeng, Reintjens, Niels R. M., Siegler, Maxime A., Roubeau, Olivier, Bouwman, Elisabeth, Rudavskyi, Andrii, Havenith, Remco W. A., Bonnet, Sylvestre

Journal:

Chemistry - A European Journal

Year:

2016

Language:

english

File:

PDF, 830 KB

english, 2016

16

The BxGe120/+ Clusters With x = 1-4: Germanium Tubes Stabilized by Three and Four Boron Dopants

Tan Pham, Hung, Rizzo, Helena Girame, Havenith, Remco W. A., Nguyen, Minh Tho

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 1.35 MB

english, 2019

17

Flash Vacuum Thermolysis of Acenaphtho[1,2-a]acenaphthylene, Fluoranthene, Benzo[k]- and Benzo[j]fluoranthene – Homolytic Scission of Carbon-Carbon Single Bonds of Internally Fused Cyclopenta Moieties at T ≥ 1100 °C

Martin Sarobe, Huibert C. Kwint, Theun Fleer, Remco W. A. Havenith, Leonardus W. Jenneskens, Edward J. Vlietstra, Joop H. van Lenthe, Jolanda Wesseling

Journal:

European Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 379 KB

english, 1999

18

The Phenalenyl Motif: A Magnetic Chameleon

Michał K. Cyrański, Remco W. A. Havenith, Michał A. Dobrowolski, Benjamin R. Gray, Tadeusz M. Krygowski, Patrick W. Fowler, Leonardus W. Jenneskens

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 279 KB

english, 2007

19

The origin of the ring current in the all-metal aromatic, Al42?

A. Havenith, Remco W., Fowler, Patrick W.

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 587 KB

english, 2006

20

An ab Initio Valence Bond Study on Cyclopenta-Fused Naphthalenes and Fluoranthenes

Havenith, Remco W. A., van Lenthe, Joop H., Jenneskens, Leonardus W.

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 153 KB

english, 2005

21

Aromaticity of planar Si 6 rings in silicon–lithium clusters

Zdetsis, Aristides D., Fowler, Patrick W., Havenith, Remco W.A.

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 1.03 MB

english, 2008

22

Finite-field implementation of NMR chemical shieldings for molecules: Direct and converse gauge-including projector-augmented-wave methods

Vasconcelos, Filipe, de Wijs, Gilles A., Havenith, Remco W. A., Marsman, Martijn, Kresse, Georg

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 893 KB

english, 2013

23

Ring currents that survive bond alternation in constrained 8π and 6π monocycles

Remco W.A Havenith, Leonardus W Jenneskens, Patrick W Fowler

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 305 KB

english, 2003

24

The Electronic Structure of Inorganic Benzenes: Valence Bond and Ring-Current Descriptions

Engelberts, Jeroen J., Havenith, Remco W. A., van Lenthe, Joop H., Jenneskens, Leonardus W., Fowler, Patrick W.

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 259 KB

english, 2005

25

Trimerization of Ethyne: Growth and Evolution of Ring Currents in the Formation of the Benzene Ring

Havenith, Remco W. A., Fowler, Patrick W., Jenneskens, Leonardus W., Steiner, Erich

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 226 KB

english, 2003

26

Survival and extinction of delocalised ring currents in clamped benzenes

Fowler, Patrick W., Havenith, Remco W. A., Jenneskens, Leonardus W., Soncini, Alessandro, Steiner, Erich

Journal:

Chemical Communications

Year:

2001

Language:

english

File:

PDF, 396 KB

english, 2001

27

Measurement of the acoustic-to-optical phonon coupling in multicomponent systems

Caretta, Antonio, Donker, Michiel C., Perdok, Diederik W., Abbaszadeh, Davood, Polyakov, Alexey O., Havenith, Remco W. A., Palstra, Thomas T. M., van Loosdrecht, Paul H. M.

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 4.04 MB

english, 2015

28

Improved CHARMM Additive Force Field Parameters to Accurately Model Tyrosine-Choline Cation-π Interactions

Muhammad Khan, Hanif, Grauffel, Cédric, Broer, Ria, MacKerell, Alexander D., Havenith, Remco W.A., Reuter, Nathalie

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 47 KB

english, 2017

29

Ring Currents as Probes of the Aromaticity of Inorganic Monocycles : P5−, As5−, S2N2, S3N3−, S4N3+, S4N42+, S5N5+, S42+ and Se42+

Frank De Proft, Patrick W. Fowler, Remco W. A. Havenith, Paul von Ragué Schleyer, Gregory Van Lier, Paul Geerlings

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 677 KB

english, 2004

30

Photoinduced Charge Separation in Cyclohexylidene-Based Donor−(σ-Bridge)−Acceptor Compounds − Building Blocks for Materials

Wibren D. Oosterbaan, Paul C. M. van Gerven, Cornelis A. van Walree, Mattijs Koeberg, Jacob J. Piet, Remco W. A. Havenith, Jan W. Zwikker, Leonardus W. Jenneskens, Rolf Gleiter

Journal:

European Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 243 KB

english, 2003

31

Synthesis and Structural Characterization of Heteroboroxines with MB 2 O 3 Core (M = Sb, Bi, Sn)

Mairychová, Barbora, Svoboda, Tomáš, Štěpnička, Petr, Růžička, Aleš, Havenith, Remco W. A., Alonso, Mercedes, Proft, Frank De, Jambor, Roman, Dostál, Libor

Journal:

Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 659 KB

english, 2013

32

Localisation and reversal of paratropic ring currents in molecules with formal anti-aromatic electron countsPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.

Havenith, Remco W. A., Engelberts, Jeroen J., Fowler, Patrick W., Steiner, Erich, van Lenthe, Joop H., Lazzeretti, Paolo

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 1.56 MB

english, 2004

33

Planar Homotropenylium Cation: A Transition State with Reversed Aromaticity

Gibson, Christopher M., Havenith, Remco W. A., Fowler, Patrick W., Jenneskens, Leonardus W.

Journal:

Journal of Organic Chemistry

Year:

2015

Language:

english

File:

PDF, 1.18 MB

english, 2015

34

Paratropic Delocalized Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation

Patrick W. Fowler, Remco W. A. Havenith, Leonardus W. Jenneskens, Alessandro Soncini, Erich Steiner

Journal:

Angewandte Chemie

Year:

2002

Language:

english

File:

PDF, 131 KB

english, 2002

35

Computational approach to the study of thermal spin crossover phenomena

Rudavskyi, Andrii, Sousa, Carmen, de Graaf, Coen, Havenith, Remco W. A., Broer, Ria

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 674 KB

english, 2014

36

Is C 50 a superaromat? Evidence from electronic structure and ring current calculations

Matías, Ana Sanz, Havenith, Remco W. A., Alcamí, Manuel, Ceulemans, Arnout

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.58 MB

english, 2015

37

Promising Strategy To Improve Charge Separation in Organic Photovoltaics: Installing Permanent Dipoles in PCBM Analogues

de Gier, Hilde D., Jahani, Fatemeh, Broer, Ria, Hummelen, Jan C., Havenith, Remco W. A.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.11 MB

english, 2015

38

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

Marashdeh, Ali, Tiesma, Thiadrik, van Velzen, Niels J C, Harder, Sjoerd, Havenith, Remco W A, De Hosson, Jeff T M, van Dorp, Willem F

Journal:

Beilstein Journal of Nanotechnology

Year:

2017

Language:

english

File:

PDF, 7.02 MB

english, 2017

39

Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density

Acke, Guillaume, Van Damme, Sofie, Havenith, Remco W. A., Bultinck, Patrick

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 8.85 MB

2019

40

Localization and Reversal of Paratropic Ring Currents in Molecules with Formal Antiaromatic Electron Counts

Remco W. A. Havenith, Jeroen J. Engelberts, Patrick W. Fowler, Erich Steiner, Joop H. van Lenthe, Paolo Lazzeretti

Journal:

Year:

2004

File:

PDF, 57 KB

2004

41

π-dimerization of pleiadiene radical cations at low temperatures revealed by UV–vis spectroelectrochemistry and quantum theory

Layo van het Goor, Piet Th. van Duijnen, Carola Koper, Leonardus W. Jenneskens, Remco W. A. Havenith, František Hartl

Journal:

Journal of Solid State Electrochemistry

Year:

2011

Language:

english

File:

PDF, 629 KB

english, 2011

42

Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s

Marcel J. de Groot, Remco W.A. Havenith, H. Maarten Vinkers, Renate Zwaans, Nico P.E. Vermeulen, Joop H. van Lenthe

Journal:

Journal of Computer-Aided Molecular Design

Year:

1998

Language:

english

File:

PDF, 90 KB

english, 1998

43

Theoretical Study of the Stable Radicals Galvinoxyl, Azagalvinoxyl and Wurster’s Blue Perchlorate in the Solid State

Havenith, Remco W. A., de Wijs, Gilles A., Attema, Jisk J., Niermann, Natascha, Speller, Sylvia, de Groot, Robert A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 422 KB

english, 2008

44

A Ruthenium(II) Complex Stabilized by a Highly Fluorinated PCP Pincer Ligand

Gagliardo, Marcella, Chase, Preston A., Lutz, Martin, Spek, Anthony L., Hartl, Frantisek, Havenith, Remco W. A., van Klink, Gerard P. M., van Koten, Gerard

Journal:

Organometallics

Year:

2005

Language:

english

File:

PDF, 240 KB

english, 2005

45

A solid-state NMR and DFT study of compositional modulations in AlxGa1−xAs

Knijn, Paulus J., van Bentum, P. Jan M., van Eck, Ernst R. H., Fang, Changming, Grimminck, Dennis L. A. G., de Groot, Robert A., Havenith, Remco W. A., Marsman, Martijn, Meerts, W. Leo, de Wijs, Gille

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.41 MB

english, 2010

46

Aromatic character of planar boron-based clusters revisited by ring current calculations

Pham, Hung Tan, Lim, Kie Zen, Havenith, Remco W.A., Nguyen, M T

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 6.11 MB

english, 2016

47

Through-Bond Orbital Coupling in End-Functionalized Bicyclohexylidenes − Photoelectron Spectroscopy and Ab initio SCF−MO Calculations

Albert W. Marsman, Remco W. A. Havenith, Sabine Bethke, Leonardus W. Jenneskens, Rolf Gleiter, Joop H. van Lenthe

Journal:

European Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 601 KB

english, 2000

48

Comment on “Theoretical studies on the ground states in [M(terpyridine)2]2+ and [M(4-(4-(t-butyl)phenyl)terpyridine)2]2+ (M = Fe, Ru, Os) and excited states in [Ru(terpyridine)2]2+ using density functional theory”

Sipke H. Wadman, Erwin P.L. van der Geer, Remco W.A. Havenith, Robertus J.M. Klein Gebbink, Gerard P.M. van Klink, Gerard van Koten

Journal:

Journal of Organometallic Chemistry

Year:

2008

Language:

english

File:

PDF, 181 KB

english, 2008

49

Di-epoxides of the three isomeric dicyclopenta-fused pyrenes: ultimate mutagenic active agents

María José Otero-Lobato, Veronica E.M. Kaats-Richters, Remco W.A. Havenith, Leonardus W. Jenneskens, Willem Seinen

Journal:

Mutation Research/Genetic Toxicology and Environmental Mutagenesis

Year:

2004

Language:

english

File:

PDF, 192 KB

english, 2004

50

Engineering long-range order in supramolecular assemblies on sur-faces: the paramount role of internal double bonds in discrete long chain-naphthalenediimides

Berrocal, Jose Augusto, Heideman, G Henrieke, de Waal, Bas F.M., Enache, Mihaela, Havenith, Remco W. A., StÃ¶hr, Meike, Meijer, Egbert Willem, Feringa, Ben L.

Journal:

Journal of the American Chemical Society

Year:

2020

File:

PDF, 1.16 MB

2020

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