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FIrpic: archetypal blue phosphorescent emitter for electroluminescence

Dalton transactions : an international journal of inorganic chemistry, 2015-05, Vol.44 (18), p.8318-8329

2015

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Different flavors of nonadiabatic molecular dynamics

Wiley interdisciplinary reviews. Computational molecular science, 2019-09, Vol.9 (5), p.e1417-n/a

2019

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A walk through the approximations of ab initio multiple spawning

The Journal of chemical physics, 2018-04, Vol.148 (13), p.134110-134110

2018

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Acid-Induced Degradation of Phosphorescent Dopants for OLEDs and Its Application to the Synthesis of Tris-heteroleptic Iridium(III) Bis-cyclometalated Complexes

Inorganic chemistry, 2012-01, Vol.51 (1), p.215-224

2012

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Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds

The journal of physical chemistry letters, 2015-01, Vol.6 (1), p.13-21

2015

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On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping

The Journal of chemical physics, 2013-05, Vol.138 (18), p.184112-184112

2013

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Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes

The Journal of chemical physics, 2016-03, Vol.144 (10), p.101102-101102

2016

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An exact factorization perspective on quantum interferences in nonadiabatic dynamics

The Journal of chemical physics, 2016-07, Vol.145 (3), p.034103-034103

2016

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Towards Compatibility between Ruthenium Sensitizers and Cobalt Electrolytes in Dye-Sensitized Solar Cells

Angewandte Chemie (International ed.), 2013-08, Vol.52 (33), p.8731-8735

International ed. in English, 2013

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Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes

Inorganic chemistry, 2012-01, Vol.51 (2), p.799-811

2012

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Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond

The Journal of chemical physics, 2010-11, Vol.133 (19), p.194104-194104-10

2010

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Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (8), p.3231-3236

2011

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Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2'-yl)- o -carborane

Chemical science (Cambridge), 2022-05, Vol.13 (18), p.5205-5219

2022

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Azo‐MICs: Redox‐Active Mesoionic Carbene Ligands Derived from Azoimidazolium Dyes

Angewandte Chemie International Edition, 2019-02, Vol.58 (6), p.1764-1767

International ed. in English, 2019

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Molecular Engineering of a Fluorene Donor for Dye-Sensitized Solar Cells

Chemistry of materials, 2013-07, Vol.25 (13), p.2733-2739

2013

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Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening

Nature chemistry, 2020-09, Vol.12 (9), p.795-800

2020

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Ultrafast isomerization in acetylene dication after carbon K-shell ionization

Nature communications, 2017-09, Vol.8 (1), p.453-7, Article 453

2017

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On nonadiabatic coupling vectors in time-dependent density functional theory

The Journal of chemical physics, 2009-11, Vol.131 (19), p.196101-196101

2009

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Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing

Chemistry of materials, 2012-06, Vol.24 (12), p.2330-2338

2012

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Synthesis, characterization and ab initio investigation of a panchromatic ullazine–porphyrin photosensitizer for dye-sensitized solar cells

Journal of materials chemistry. A, Materials for energy and sustainability, 2016, Vol.4 (6), p.2332-2339

2016

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Probiotics in the gastrointestinal diseases of the elderly

The Journal of nutrition, health & aging, 2012-04, Vol.16 (4), p.402-410

2012

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Near-infrared template spectra of normal galaxies: k-corrections, galaxy models and stellar populations

Monthly notices of the Royal Astronomical Society, 2001-09, Vol.326 (2), p.745-758

2001

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The technical feasibility of biomass gasification for hydrogen production

Catalysis today, 2005, Vol.106 (1), p.297-300

2005

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Capacitance-voltage and deep-level-transient spectroscopy characterization of defects near SiO2/SiC interfaces

Journal of applied physics, 2011-03, Vol.109 (6)

2011

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Rh–Ni synergy in the catalytic partial oxidation of methane: surface phenomena and catalyst stability

Catalysis today, 2002-12, Vol.77 (3), p.215-223

2002

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FIrpic: archetypal blue phosphorescent emitter for electroluminescence

Different flavors of nonadiabatic molecular dynamics

A walk through the approximations of ab initio multiple spawning

Acid-Induced Degradation of Phosphorescent Dopants for OLEDs and Its Application to the Synthesis of Tris-heteroleptic Iridium(III) Bis-cyclometalated Complexes

Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds

On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping

Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes

An exact factorization perspective on quantum interferences in nonadiabatic dynamics

Towards Compatibility between Ruthenium Sensitizers and Cobalt Electrolytes in Dye-Sensitized Solar Cells

Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes

Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond

Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations

Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2'-yl)- o -carborane

Azo‐MICs: Redox‐Active Mesoionic Carbene Ligands Derived from Azoimidazolium Dyes

Molecular Engineering of a Fluorene Donor for Dye-Sensitized Solar Cells

Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening

Ultrafast isomerization in acetylene dication after carbon K-shell ionization

On nonadiabatic coupling vectors in time-dependent density functional theory

Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing

Synthesis, characterization and ab initio investigation of a panchromatic ullazine–porphyrin photosensitizer for dye-sensitized solar cells

Probiotics in the gastrointestinal diseases of the elderly

Near-infrared template spectra of normal galaxies: k-corrections, galaxy models and stellar populations

The technical feasibility of biomass gasification for hydrogen production

Capacitance-voltage and deep-level-transient spectroscopy characterization of defects near SiO2/SiC interfaces

Rh–Ni synergy in the catalytic partial oxidation of methane: surface phenomena and catalyst stability

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