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Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 30, pp. 19740 - 19749
Modern pulsed X-ray sources permit time-dependent measurements of dynamical changes in atoms and molecules via non-resonant scattering. The planning, analysis,... 
MOTION | LASER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | THEORETICAL CONSIDERATIONS | DIFFRACTION | EMISSION | BOND | RADIATION
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2019, Volume 21, Issue 7, pp. 4082 - 4095
In this work, we investigate the excited-state solute and solvation structure of [Ru(bpy)(3)](2+), [Fe(bpy)(3)](2+), [Fe(bmip)(2)](2+) and [Cu(phen)(2)](+)... 
DENSITY | SPIN-CROSSOVER | ABSORPTION-SPECTROSCOPY | ENERGY | FINE-STRUCTURE | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | FORCE-FIELD | CARBENE COMPLEX | ELECTRONIC-STRUCTURE | AQUEOUS-SOLUTION
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 09/2019, Volume 151, Issue 10, p. 104307
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2018, Volume 14, Issue 8, pp. 3967 - 3974
The excited-state dynamics of two functional Fe-carbene complexes, [Fe­(bmip)2]2+ (bmip = 2,6-bis­(3-methyl-imidazole-1-ylidene)-pyridine) and [Fe­(btbip)2]2+... 
CHEMISTRY, PHYSICAL | CONICAL INTERSECTION | RELAXATION | MOLECULAR-DYNAMICS | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Time dependence | Polarization | Spin dynamics | Electronic structure | Computer simulation | Dynamics | Imidazole | Dipole moments | Excitation | Electron spin | Electric fields
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 10/2017, Volume 19, Issue 4, pp. 27266 - 27274
Ultrafast X-ray absorption spectroscopy is applied to study the conversion of longitudinal to transverse phonons in aqueous solution. Permanganate solutes... 
MOLAR-MASS COMPOUNDS | MIXTURES | SCALE SUPRAMOLECULAR STRUCTURE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | RELAXATION | IONS | SCATTERING | LIQUIDS | WATER | Chemistry | Physics
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 10/2019, Volume 123, Issue 42, pp. 25579 - 25584
In this work, we focus on macrocyclic structures comprised of two dihydroazulene (DHA) units and one azobenzene (AZB) unit and the possibility for... 
MOLECULAR-DYNAMICS | PHOTOISOMERIZATION | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | STATE | NANOSCIENCE & NANOTECHNOLOGY | SOLVENT | FLUOROAZOBENZENES
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 01/2019, Volume 123, Issue 4, pp. 2056 - 2065
The solvent-mediated excited-state dynamics of the COOH-functionalized Fe-carbene photosensitizer [Fe(bmicp)(2)](2+) (bmicp =... 
MOLECULAR-DYNAMICS | MATERIALS SCIENCE, MULTIDISCIPLINARY | COMPLEXES | LIGHT | CHEMISTRY, PHYSICAL | RELAXATION | NANOSCIENCE & NANOTECHNOLOGY | DENSITY | QUANTUM DYNAMICS | ULTRAFAST | PHOTOPHYSICS | RECENT PROGRESS | WATER | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 10/2016, Volume 55, Issue 20, pp. 10637 - 10644
This work provides a detailed mechanism for electron transfer in a heterodinuclear complex designed as a model system in which to study homogeneous molecular... 
DYNAMICS SIMULATIONS | AUGMENTED-WAVE METHOD | EXCITED-STATE | BRIDGING LIGAND | ZETA VALENCE QUALITY | X-RAY-SCATTERING | BASIS-SETS | CHARGE-TRANSFER | HYDROPHOBIC SOLVATION | AQUEOUS-SOLUTION | CHEMISTRY, INORGANIC & NUCLEAR | Research | Chemical properties | Electron transport | Heterocyclic compounds | Photocatalysis | Optical properties
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 08/2017, Volume 19, Issue 30, pp. 19740 - 19749
Modern pulsed X-ray sources permit time-dependent measurements of dynamical changes in atoms and molecules via non-resonant scattering. The planning, analysis,... 
Journal Article
Journal of Physics B: Atomic, Molecular and Optical Physics, ISSN 0953-4075, 02/2016, Volume 49, Issue 5, p. 59501
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, ISSN 1948-7185, 07/2019, Volume 10, Issue 14, pp. 3944 - 3949
The photoinduced ring-opening reaction is a key process in the functioning of dihydroazulene/vinylheptafulvene (DHA/VHF) photoswitches. Over the years, the... 
STATES | MATERIALS SCIENCE, MULTIDISCIPLINARY | SOLAR-ENERGY STORAGE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | DIHYDROAZULENE/VINYLHEPTAFULVENE PHOTOCHROMISM
Journal Article
Organic Letters, ISSN 1523-7060, 06/2017, Volume 19, Issue 12, pp. 3263 - 3266
The synthetic utility and theoretical basis of a photolabile hydroxylamine-linker are presented. The developed protocols enable the efficient synthesis and... 
PHASE SYNTHESIS | ORGANIC-SYNTHESIS | RESIN | ETHERS | 2-NITROBENZYL COMPOUNDS | AB-INITIO | ESTERS | CHEMISTRY, ORGANIC | INTERMEDIATE | HISTONE DEACETYLASE INHIBITORS | CLEAVAGE
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 09/2019, Volume 151, Issue 12, p. 124114
As a demonstration of the analysis of the electronic structure and the nuclear dynamics from time-resolved near-edge X-ray absorption fine structure... 
QUANTUM DYNAMICS | MOLECULAR-DYNAMICS | STATES | SPECTROSCOPY | FIELD | LIGHT | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NONADIABATIC DYNAMICS | RELAXATION | EQUATION | COUPLED-CLUSTER THEORY
Journal Article
Structural Dynamics, ISSN 2329-7778, 11/2018, Volume 5, Issue 6, pp. 060901 - 060901-5
Coherence is one of the most important phenomena in ultrafast sciences. We give our perspective on the terminology, observation, and preservation of coherence... 
ENERGY | DISSOCIATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | INTERNAL-CONVERSION | FEMTOCHEMISTRY | Organic chemistry | Solvents | Energy | Preservation | Coherence | Nitrogen | Experiments | Symmetry
Journal Article
Attention, Perception, & Psychophysics, ISSN 1943-3921, 5/2018, Volume 80, Issue 4, pp. 1023 - 1025
During copy-editing, the y-axes of Fig. 2 (top) and Fig. 3 (top) were erroneously labelled mean BCG (d’) in the version of the paper published as Online First.... 
Cognitive Psychology | Psychology
Journal Article
ISSN 1520-510X, 2016
This work provides a detailed mechanism for electron transfer in a heterodinuclear complex designed as a model system in which to study homogeneous molecular... 
Journal Article
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