Doltsinis, Nikos: search on Z-Library

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1

Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics

Meng, Dong, Fu, Huiting, Xiao, Chengyi, Meng, Xiangyi, Winands, Thorsten, Ma, Wei, Wei, Wei, Fan, Bingbing, Huo, Lijun, Doltsinis, Nikos L., Li, Yan, Sun, Yanming, Wang, Zhaohui

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

2

Toward Tunable Electroluminescent Devices by Correlating Function and Submolecular Structure in 3D Crystals, 2D-Confined Monolayers, and Dimers

Wilde, Sebastian, Ma, Dongxin, Koch, Tobias, Bakker, Anne, Gonzalez-Abradelo, Dario, Stegemann, Linda, Daniliuc, Constantin G., Fuchs, Harald, Gao, Hongying, Doltsinis, Nikos L., Duan, Lian, Strassert

Journal:

ACS Applied Materials & Interfaces

Year:

2018

Language:

english

File:

PDF, 7.15 MB

english, 2018

3

Elucidating the Origin of Diastereoselectivity in a Self-Replicating System: Selfishness versus Altruism

Dr. Arne Dieckmann, Sabrina Beniken, Dr. Christian D. Lorenz, Dr. Nikos L. Doltsinis, Prof. Dr. Günter von Kiedrowski

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 1.62 MB

english, 2011

4

Aqueous PdII and PtII: Anionic Hydration Revealed by Car–Parrinello Simulations

Elizabeth C. Beret, Rafael R. Pappalardo, Nikos L. Doltsinis, Dominik Marx, Enrique Sánchez Marcos

Journal:

Year:

2008

Language:

english

File:

PDF, 252 KB

english, 2008

5

Arylazopyrazole photoswitches in aqueous solution: Substituent effects, photophysical properties and host-guest chemistry

Stricker, Lucas, Bockmann, Marcus, Kirse, Thomas, Doltsinis, Nikos, Ravoo, Bart Jan

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 1.23 MB

english, 2018

6

10.1142/s0219633602000257

DOLTSINIS, NIKOS L.

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2002

Language:

english

File:

PDF, 611 KB

english, 2002

7

Spectroscopic mapping and selective electronic tuning of molecular orbitals in phosphorescent organometallic complexes – a new strategy for OLED materials

Ewen, Pascal R, Sanning, Jan, Koch, Tobias, Doltsinis, Nikos L, Strassert, Cristian A, Wegner, Daniel

Journal:

Beilstein Journal of Nanotechnology

Year:

2014

Language:

english

File:

PDF, 10.55 MB

english, 2014

8

New generalized gradient approximation functionals

Boese, A. Daniel, Doltsinis, Nikos L., Handy, Nicholas C., Sprik, Michiel

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 403 KB

english, 2000

9

Cover Picture: Transport Processes at α-Quartz–Water Interfaces: Insights from First-Principles Molecular Dynamics Simulations (ChemPhysChem 7/2008)

Waheed A. Adeagbo, Nikos L. Doltsinis, Ksenia Klevakina, Jörg Renner

Journal:

Year:

2008

Language:

english

File:

PDF, 1.08 MB

english, 2008

10

Extended Car–Parrinello molecular dynamics and electronic g-tensors study of benzosemiquinone radical anion

James R. Asher, Nikos L. Doltsinis, Martin Kaupp

Journal:

Magnetic Resonance in Chemistry

Year:

2005

Language:

english

File:

PDF, 266 KB

english, 2005

11

Unraveling Orbital Hybridization of Triplet Emitters at the Metal-Organic Interface

Ewen, Pascal R., Sanning, Jan, Doltsinis, Nikos L., Mauro, Matteo, Strassert, Cristian A., Wegner, Daniel

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 4.78 MB

english, 2013

12

Electric conductance of a mechanically strained molecular junction from first principles: Crucial role of structural relaxation and conformation sampling

Nguyen, Huu Chuong, Szyja, Bartłomiej M., Doltsinis, Nikos L.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

13

Effect of the C(3)-Substituent in Verdazyl Radicals on their Profluorescent Behavior

Eusterwiemann, Steffen, Matuschek, David, Stegemann, Linda, Klabunde, Sina, Doerenkamp, Carsten C, Daniliuc, Constantin G., Doltsinis, Nikos L., Strassert, Cristian A., Eckert, Hellmut, Studer, Armido

Journal:

CHIMIA International Journal for Chemistry

Year:

2016

Language:

english

File:

PDF, 494 KB

english, 2016

14

Trendbericht Theoretische Chemie 2017: Optimierung organischer Solarzellen mit Multiskalensimulationen

Doltsinis, Nikos L., Bachmann, Jim, Koch, Tobias, Schwermann, Christian, Winands, Thorsten

Journal:

Nachrichten aus der Chemie

Year:

2018

Language:

german

File:

PDF, 7.30 MB

german, 2018

15

Perylene Diimide-Embedded Double [8]Helicenes

Liu, Bo, BÃ¶ckmann, Marcus, Jiang, Wei, Doltsinis, Nikos L., Wang, Zhaohui

Journal:

Journal of the American Chemical Society

Year:

2020

Language:

english

File:

PDF, 1.33 MB

english, 2020

16

Unraveling a Chemically Enhanced Photoswitch: Bridged Azobenzene

Marcus Böckmann, Nikos L. Doltsinis, Dominik Marx

Journal:

Angewandte Chemie

Year:

2010

Language:

english

File:

PDF, 401 KB

english, 2010

17

Formamide Dimers: A Computational and Matrix Isolation Study

Mardyukov, Artur, Sánchez-Garcia, Elsa, Rodziewicz, Pawel, Doltsinis, Nikos L., Sander, Wolfram

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 339 KB

english, 2007

18

An Arylazopyrazole Based N-Heterocyclic Carbene as Photoswitch on Gold Surfaces: Light-Switchable Wettability, Work Function and Conductance

Nguyen, D. Thao, Freitag, Matthias, Gutheil, Christian, Sotthewes, Kai, Tyler, Bonnie J., BÃ¶ckmann, Marcus, Das, Mowpriya, SchlÃ¼ter, Friederike, Doltsinis, Nikos L., Arlinghaus, Heinrich F., Ravoo,

Journal:

Angewandte Chemie

Year:

2020

File:

PDF, 1.29 MB

2020

19

Enhanced photoswitching of bridged azobenzene studied by nonadiabatic ab initio simulation

Böckmann, Marcus, Doltsinis, Nikos L., Marx, Dominik

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.53 MB

english, 2012

20

Phosphorescent Pt( ii ) complexes bearing a monoanionic C^N^N luminophore and tunable ancillary ligands

Hebenbrock, Marian, Stegemann, Linda, Kösters, Jutta, Doltsinis, Nikos L., Müller, Jens, Strassert, Cristian A.

Journal:

Dalton Transactions

Year:

2017

Language:

english

File:

PDF, 1.37 MB

english, 2017

21

Hexacene Diimides

Cui, Xiaoping, Xiao, Chengyi, Winands, Thorsten, Koch, Tobias, Li, Yan, Zhang, Lei, Doltsinis, Nikos L., Wang, Zhaohui

Journal:

Journal of the American Chemical Society

Year:

2018

File:

PDF, 879 KB

2018

22

Conformation-dependent phosphorescence emission of individual mononuclear Ruthenium-(II)-bisterpyridine complexes

Koch, Tobias, Höppener, Christiane, Doltsinis, Nikos

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.58 MB

english, 2018

23

Nanographene Imides Featuring Dual Core Sixfold [5]Helicenes

Liu, Guogang, Koch, Tobias, Li, Yan, Doltsinis, Nikos L., Wang, Zhaohui

Journal:

Angewandte Chemie

Year:

2018

Language:

english

File:

PDF, 1.70 MB

english, 2018

24

A unidirectional surface-anchored N-heterocyclic carbene rotor

Ren, Jindong, Freitag, Matthias, Schwermann, Christian, Bakker, Anne, Amirjalayer, Saeed, RÃ¼hling, Andreas, Gao, Hong-Ying, Doltsinis, Nikos L., Glorius, Frank, Fuchs, Harald

Journal:

Year:

2020

File:

PDF, 754 KB

2020

25

A Domino Annulation Reaction under Willgerodt−Kindler Conditions

Kadzimirsz, Daniel, Kramer, Daniel, Sripanom, Lertnarong, Oppel, Iris M., Rodziewicz, Pawel, Doltsinis, Nikos L., Dyker, Gerald

Journal:

Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 768 KB

english, 2008

26

A Decatwistacene with an Overall 170° Torsion

Fan, Wei, Winands, Thorsten, Doltsinis, Nikos L., Li, Yan, Wang, Zhaohui

Journal:

Angewandte Chemie

Year:

2017

Language:

english

File:

PDF, 3.04 MB

english, 2017

27

Reaktive Oberflächenplanarisierung von Pt(II)‐Komplexen

Ren, Jindong, Cnudde, Marvin, Brünink, Dana, Buss, Stefan, Daniliuc, Constantin G., Liu, Lacheng, Fuchs, Harald, Strassert, Cristian A., Gao, Hong‐Ying, Doltsinis, Nikos L.

Journal:

Angewandte Chemie

Year:

2019

File:

PDF, 3.13 MB

2019

28

Cover Picture: Optical, Mechanical, and Opto-Mechanical Switching of Anchored Dithioazobenzene Bridges (ChemPhysChem 2/2010)

Robert Turanský, Martin Konôpka, Nikos L. Doltsinis, Ivan Štich, Dominik Marx

Journal:

Year:

2010

File:

PDF, 867 KB

2010

29

Theoretical photoabsorption spectra of Arn+ clusters

Nikos L. Doltsinis, Peter J. Knowles

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 169 KB

english, 2000

30

Unravelling a fulvene based Replicator: Experiment and Theory in Interplay

Arne Dieckmann, Sabrina Beniken, Christian Lorenz, Nikos L Doltsinis, Günter von Kiedrowski

Journal:

Journal of Systems Chemistry

Year:

2010

Language:

english

File:

PDF, 1.41 MB

english, 2010

31

Theoretical pKa estimates for solvated P(OH)5 from coordination constrained Car?Parrinello molecular dynamics

Doltsinis, Nikos L., Sprik, Michiel

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 774 KB

english, 2003

32

Fluorination-controlled Aggregation and Intermolecular Interactions in Pt(II) Complexes with Tetradentate Luminophores

Wilde, Sebastian, González-Abradelo, Darío, Daniliuc, Constantin-Gabriel, Böckmann, Marcus, Doltsinis, Nikos L., Strassert, Cristian A.

Journal:

Israel Journal of Chemistry

Year:

2018

Language:

english

File:

PDF, 4.64 MB

english, 2018

33

Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: A new route via implicit differentiation

Doltsinis, Nikos L., Kosov, D. S.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 331 KB

english, 2005

34

Understanding the Role of Chalcogens in EtherâBased Luminophores with AggregationâInduced Fluorescence and Phosphorescence

Voskuhl, Jens, Riebe, Steffen, WÃ¶lper, Christoph, Balszuweit, Jan, Hayduk, Matthias, Gutierrez Suburu, Matias Ezequiel, Strassert, Cristian A., Doltsinis, Nikos L.

Journal:

Year:

2020

File:

PDF, 2.43 MB

2020

35

An Arylazopyrazole Based N-Heterocyclic Carbene as Photoswitch on Gold Surfaces: Light-Switchable Wettability, Work Function and Conductance

Nguyen, D. Thao, Freitag, Matthias, Gutheil, Christian, Sotthewes, Kai, Tyler, Bonnie J., BÃ¶ckmann, Marcus, Das, Mowpriya, SchlÃ¼ter, Friederike, Doltsinis, Nikos L., Arlinghaus, Heinrich F., Ravoo,

Journal:

Angewandte Chemie International Edition

Year:

2020

File:

PDF, 1.29 MB

2020

36

Book Review: Fundamentals of Quantum Chemistry. By Michael Mueller

Nikos L. Doltsinis

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 35 KB

english, 2002

37

Nonradiative decay of photoexcited methylated guanine

Langer, Holger, Doltsinis, Nikos L.

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 658 KB

english, 2004

38

Excited state proton transfer and internal conversion in o -hydroxybenzaldehyde: new insights from non-adiabatic ab initio molecular dynamics

Doltsinis, Nikos L.

Journal:

Molecular Physics

Year:

2004

Language:

english

File:

PDF, 339 KB

english, 2004

39

Arylazopyrazoles as light-responsive molecular switches in cyclodextrin-based supramolecular systems

Stricker, Lucas, Fritz, Eva-Corinna, Peterlechner, Martin, Doltsinis, Nikos L., Ravoo, Bart Jan

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 594 KB

english, 2016

40

Exciton Transfer Free Energy from Car-Parrinello Molecular Dynamics

Schwermann, Christian, Doltsinis, Nikos

Journal:

Physical Chemistry Chemical Physics

Year:

2020

Language:

english

File:

PDF, 3.70 MB

english, 2020

41

Prediction of Absolute Hydroxyl p K a Values for 3-Hydroxypyridin-4-ones

Chen, Yu-Lin, Doltsinis, Nikos L., Hider, Robert C., Barlow, Dave J.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 404 KB

english, 2012

42

Frontispiece: Scanning-Tunneling-Spectroscopy-Directed Design of Tailored Deep-Blue Emitters

Sanning, Jan, Ewen, Pascal R., Stegemann, Linda, Schmidt, Judith, Daniliuc, Constantin G., Koch, Tobias, Doltsinis, Nikos L., Wegner, Daniel, Strassert, Cristian A.

Journal:

Angewandte Chemie International Edition

Year:

2015

File:

PDF, 839 KB

2015

43

On-surface Reactive Planarization of Pt-Complexes

Ren, Jindong, Cnudde, Marvin, Brünink, Dana, Buss, Stefan, Daniliuc, Constantin, Liu, Lacheng, Fuchs, Harald, Strassert, Cristian, Gao, Hong-Ying, Doltsinis, Nikos

Journal:

Angewandte Chemie International Edition

Year:

2019

Language:

english

File:

PDF, 2.43 MB

english, 2019

44

Adaptive Switching of Interaction Potentials in the Time Domain: An Extended Lagrangian Approach Tailored to Transmute Force Field to QM/MM Simulations and Back

Böckmann, Marcus, Doltsinis, Nikos L., Marx, Dominik

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 3.27 MB

english, 2015

45

Molecular Adsorbates Switch on Heterogeneous Catalysis: Induction of Reactivity by N-Heterocyclic Carbenes

Ernst, Johannes B., Schwermann, Christian, Yokota, Gen-ichi, Tada, Mizuki, Muratsugu, Satoshi, Doltsinis, Nikos L., Glorius, Frank

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 676 KB

english, 2017

46

Copper(II)-mediated base pairing involving the artificial nucleobase 3 H -imidazo[4,5- f ]quinolin-5-ol

Sandmann, Nikolas, Bachmann, Jim-Martin, Hepp, Alexander, Doltsinis, Nikos, Mueller, Jens

Journal:

Dalton Transactions

Year:

2019

File:

PDF, 1.07 MB

2019

47

Azobenzene photoswitches in bulk materials

Böckmann, Marcus, Doltsinis, Nikos L., Marx, Dominik

Journal:

Physical Review E

Year:

2008

Language:

english

File:

PDF, 324 KB

english, 2008

48

Regioselective Functionalization of Core-Persubstituted Perylene Diimides

Yue, Wan, Jiang, Wei, Böckmann, Marcus, Doltsinis, Nikos L., Wang, Zhaohui

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 838 KB

english, 2014

49

Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond

Böckmann, Marcus, Marx, Dominik, Peter, Christine, Site, Luigi Delle, Kremer, Kurt, Doltsinis, Nikos L.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.20 MB

english, 2011

50

Excited state tautomerism of the DNA base guanine: A restricted open-shell Kohn–Sham study

Langer, Holger, Doltsinis, Nikos L.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 329 KB

english, 2003

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