Authors: Fatma M. Mustafa, Mahmoud K. Abdel-Latif, Ahmed A. Abdel-Khalek, Oliver Kühn

Superior Title: Molecules, Vol 28, Iss 13, p 5185 (2023)

Subject Terms: DSSC, TDDFT, power conversion efficiency, diphenylamine, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/28/13/5185; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/b50318ab14864022b977b97101863923

Authors: Prasanth B. Ganta, Oliver Kühn, Ashour A. Ahmed

Superior Title: Frontiers in Forests and Global Change, Vol 3 (2020)

Subject Terms: P-efficiency, P-adsorption, inositolhexaphosphate (IHP), glycerolphosphate (GP), diaspore (AlOOH), QM/MM simulations, Forestry, SD1-669.5, Environmental sciences, GE1-350

File Description: electronic resource

Relation: https://www.frontiersin.org/article/10.3389/ffgc.2020.00071/full; https://doaj.org/toc/2624-893X

Access URL: https://doaj.org/article/fa4b40c49cfc4311bbd7391feefc5ccb

Authors: Prasanth B. Ganta, Mohsen Morshedizad, Oliver Kühn, Peter Leinweber, Ashour A. Ahmed

Superior Title: Minerals, Vol 11, Iss 3, p 323 (2021)

Subject Terms: P-fertility, orthophosphate, glycerolphosphate, inositolhexaphosphate, goethite, adsorption, Mineralogy, QE351-399.2

File Description: electronic resource

Relation: https://www.mdpi.com/2075-163X/11/3/323; https://doaj.org/toc/2075-163X

Access URL: https://doaj.org/article/a47a287dbe654d3b9a06a3e385a0b64d

Authors: Prasanth B. Ganta, Oliver Kühn, Ashour A. Ahmed

Superior Title: Molecules, Vol 26, Iss 1, p 160 (2020)

Subject Terms: P–inefficiency, goethite, glycerolphosphate, inositol hexaphosphate, MD simulations, QMMM, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/26/1/160; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/f9922ef9d5bc4b14a8325039f2a2aa59

Authors: Azhr A. Raheem, Martin Wilke, Mario Borgwardt, Nicholas Engel, Sergey I. Bokarev, Gilbert Grell, Saadullah G. Aziz, Oliver Kühn, Igor Yu. Kiyan, Christoph Merschjann, Emad F. Aziz

Superior Title: Structural Dynamics, Vol 4, Iss 4, Pp 044031-044031-15 (2017)

Subject Terms: Crystallography, QD901-999

File Description: electronic resource

Relation: https://doaj.org/toc/2329-7778

Access URL: https://doaj.org/article/bfd176816a0f4f7eb1dc7e97f5274dbf

Authors: Marie Preuße, Sergey I. Bokarev, Saadullah G. Aziz, Oliver Kühn

Superior Title: Structural Dynamics, Vol 3, Iss 6, Pp 062601-062601-11 (2016)

Subject Terms: Crystallography, QD901-999

File Description: electronic resource

Relation: https://doaj.org/toc/2329-7778

Access URL: https://doaj.org/article/3bfd6935e3534cd39b6c168d0c30e89c

Authors: Olga S. Bokareva, Tobias Möhle, Antje Neubauer, Sergey I. Bokarev, Stefan Lochbrunner, Oliver Kühn

Superior Title: Inorganics, Vol 5, Iss 2, p 23 (2017)

Subject Terms: photosensitizers, photochemistry, photophysics, absorption, optimally-tuned range-separated hybrid density functional, Inorganic chemistry, QD146-197

File Description: electronic resource

Relation: http://www.mdpi.com/2304-6740/5/2/23; https://doaj.org/toc/2304-6740

Access URL: https://doaj.org/article/fd83d71128cb43d781ad239f4ad2da66

Authors: Jan Schulze, Magne Torbjörnsson, Oliver Kühn, Tõnu Pullerits

Superior Title: New Journal of Physics, Vol 16, Iss 4, p 045010 (2014)

Subject Terms: coherence, electronic 2D spectroscopy, excitons, vibronic coupling, Huang–Rhys factor, fluorescence line narrowing, Science, Physics, QC1-999

File Description: electronic resource

Relation: https://doaj.org/toc/1367-2630

Access URL: https://doaj.org/article/cf8a27b7790c4baeac9c7bb5d05f4cce

Authors: Yun-an Yan, Oliver Kühn

Superior Title: New Journal of Physics, Vol 14, Iss 10, p 105004 (2012)

Subject Terms: Science, Physics, QC1-999

File Description: electronic resource

Relation: https://doaj.org/toc/1367-2630

Access URL: https://doaj.org/article/83899a7f4c864a3fb18e7d919ffb274c

Authors: Steffen Wolter, Janis Aizezers, Franziska Fennel, Marcus Seidel, Frank Würthner, Oliver Kühn, Stefan Lochbrunner

Superior Title: New Journal of Physics, Vol 14, Iss 10, p 105027 (2012)

Subject Terms: Science, Physics, QC1-999

File Description: electronic resource

Relation: https://doaj.org/toc/1367-2630

Access URL: https://doaj.org/article/44b7507696164b51bcd6fa2184c8fcd3

Authors: Leonel Varvelo, Jacob K. Lynd, Brian Citty, Oliver Kühn, Doran I. G. B. Raccah

Subject Terms: Python, Open quantum systems, Photosynthetic aggregates, Matplotlib

Relation: https://zenodo.org/record/7670978; https://doi.org/10.5281/zenodo.7670978; oai:zenodo.org:7670978

Availability: https://doi.org/10.5281/zenodo.7670978
https://doi.org/10.5281/zenodo.7670977
https://zenodo.org/record/7670978

Authors: Lorenz Dettmann (10902929), Oliver Kühn (4431685), Ashour A. Ahmed (4439374)

Subject Terms: Environmental Science, Soil Science, Wastes, Nanoplastics, carbon nanotubes, Coarse Grained Molecular Dynamics

Relation: https://figshare.com/articles/preprint/Coarse-Grained_Molecular_Dynamics_Simulations_of_Nanoplastics_Interacting_with_a_Hydrophobic_Environment_in_Aqueous_Solution/14709072

Availability: https://doi.org/10.26434/chemrxiv.14709072.v1

Authors: Henrik Junge, Nils Rockstroh, Steffen Fischer, Angelika Brückner, Ralf Ludwig, Stefan Lochbrunner, Oliver Kühn, Matthias Beller

Superior Title: Inorganics; Volume 5; Issue 1; Pages: 14

Subject Terms: hydrogen, iron, copper, hydrogenases, photosensitizer, photocatalysis, water splitting, spectroscopy

File Description: application/pdf

Relation: Organometallic Chemistry; https://dx.doi.org/10.3390/inorganics5010014

Availability: https://doi.org/10.3390/inorganics5010014

Authors: Prasanth B. Ganta, Oliver Kühn, Ashour A. Ahmed

Subject Terms: Agroforestry, Forestry Biomass and Bioproducts, Forestry Fire Management, Forestry Management and Environment, Forestry Pests, Health and Diseases, P-efficiency, P-adsorption, inositolhexaphosphate (IHP), glycerolphosphate (GP), diaspore (AlOOH), QM/MM simulations

Relation: https://figshare.com/articles/Data_Sheet_1_QM_MM_Molecular_Dynamics_Investigation_of_the_Binding_of_Organic_Phosphates_to_the_100_Diaspore_Surface_pdf/12495911

Availability: https://doi.org/10.3389/ffgc.2020.00071.s001
https://figshare.com/articles/Data_Sheet_1_QM_MM_Molecular_Dynamics_Investigation_of_the_Binding_of_Organic_Phosphates_to_the_100_Diaspore_Surface_pdf/12495911

Authors: Volkhard May, Oliver Kühn

Resource Type: eBook.

Categories: SCIENCE / Physics / Atomic & Molecular, SCIENCE / Chemistry / Physical & Theoretical, TECHNOLOGY & ENGINEERING / Materials Science / General

Authors: Volkhard May, Oliver Kühn

Resource Type: eBook.

Subjects: Quantum chemistry, Molecular dynamics, Energy transfer, Charge transfer, Molecules

Categories: SCIENCE / Physics / Atomic & Molecular

Authors: Yun-an Yan A, Gireesh M. Krishnan A, Oliver Kühn B

Contributors: The Pennsylvania State University CiteSeerX Archives

Superior Title: http://arxiv.org/pdf/0807.2765v1.pdf.

File Description: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.247.7930; http://arxiv.org/pdf/0807.2765v1.pdf

Availability: http://arxiv.org/pdf/0807.2765v1.pdf

Authors: Oliver Kühn, Ludger Wöste

Resource Type: eBook.

Subjects: Molecular dynamics, Picosecond pulses, Photochemistry

Categories: SCIENCE / Chemistry / Physical & Theoretical, SCIENCE / Life Sciences / Biophysics, SCIENCE / Physics / Nuclear, SCIENCE / Physics / Optics & Light, SCIENCE / Physics / Atomic & Molecular, TECHNOLOGY & ENGINEERING / Lasers & Photonics

Authors: Volkhard May, Oliver Kühn

Resource Type: eBook.

Subjects: Molecular dynamics, Quantum chemistry, Energy transfer, Charge transfer, Molecules

Categories: SCIENCE / Chemistry / General

Authors: Volkhard May, Oliver Kühn

Superior Title: Nano Letters. Feb2008, Vol. 8 Issue 4, p1095-1099. 5p.

Subject Terms: *POWER transmission, *ELECTRONIC systems, *SPECTRAL energy distribution, *ELECTRONICS