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At least 1,693 records · Page 94

Method to derive the infrared complex refractive indices n(λ) and k(λ) for organic solids from KBr pellet absorption measurements

Obtaining the complex refractive index vectors $n($$\tilde{v})$ and $k($$\tilde{v})$ allows calculation of the (infrared) reflectance spectrum that is obtained from a solid in any of its many morphological forms. Here, we report an adaptation to the KBr pellet technique using two gravimetric dilutions to derive quantitative $n($$\tilde{v})$/$k($$\tilde{v})$ for dozens of powders with greater repeatability. The optical constants of bisphenol A and sucrose are compared to those derived by other methods, particularly for powdered materials. The variability of the $k$ values for bisphenol A was examined by 10 individual measurements, showing an average coefficient of variation for $k$ peak heights of 5.6%. Though no established standards exist, the pellet-derived $k$ peak values of bisphenol A differ by 11% and 31% from their single-angle- and ellipsometry-derived values, respectively. These values provide an initial estimate of the precision and accuracy of complex refractive indices that can be derived using this method. Limitations and advantages of the method are discussed, the salient advantage being a more rapid method to derive $n$/$k$ for those species that do not readily form crystals or specular pellets.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Complexity and entropy representation for machine component diagnostics

The Complexity-entropy causality plane (CECP) is a parsimonious representation space for time series. It has only two dimensions: normalized permutation entropy and Jensen-Shannon complexity of a time series. This two-dimensional representation allows for detection of slow or rapid drifts in the condition of mechanical components monitored through sensor measurements. The CECP representation can be used for both predictive analytics and visual monitoring of changes in component condition. This method requires minimal pre-processing of raw signals. Furthermore, it is insensitive to noise, stationarity, and trends. These desirable properties make CECP a good candidate for machine condition monitoring and fault diagnostics. In this work we study the effectiveness of CECP on three rotary component condition assessment applications. We use CECP representation of vibration signals to differentiate various machine component health conditions for rotary machine components, namely roller bearing and gears. The results confirm that the CECP representation is able to detect, with high accuracy, changes in underlying dynamics of machine component degradation states. From class separability perspective, the CECP representation is able to generate linearly separable classes for the classification of different fault states. This classification performance improves with increasing signal length. For signal length of 16,384 data points, the fault classification accuracy varies from 90% to 100% for bearing applications, and from 85% to 100% for gear applications. We observed that the optimum parameter for CECP representating depends on the application. For bearing applications we found that embedding dimension D = 4, 5, 6, and embedding delay τ = 1, 2, 3 are suitable for good fault classification. For gear applications we find that embedding dimension D = 4, 5, and embedding delay τ = 1, 5 are suitable for fault classification.

47 OTHER INSTRUMENTATION↗

Biophysical and X-ray structural studies of the (GGGTT)3GGG G-quadruplex in complex with N-methyl mesoporphyrin IX

The G-quadruplex (GQ) is a well-studied non-canonical DNA structure formed by G-rich sequences found at telomeres and gene promoters. Biological studies suggest that GQs may play roles in regulating gene expression, DNA replication, and DNA repair. Small molecule ligands were shown to alter GQ structure and stability and thereby serve as novel therapies, particularly against cancer. In this work, we investigate the interaction of a G-rich sequence, 5’-GGGTTGGGTTGGGTTGGG-3’ (T1), with a water-soluble porphyrin, N- methyl mesoporphyrin IX (NMM) via biophysical and X-ray crystallographic studies. UV-vis and fluorescence titrations, as well as a Job plot, revealed a 1:1 binding stoichiometry with an impressively tight binding constant of 30–50 μM -1 and ΔG 298 of -10.3 kcal/mol. Eight extended variants of T1 (named T2 –T9) were fully characterized and T7 was identified as a suitable candidate for crystallographic studies. We solved the crystal structures of the T1- and T7-NMM complexes at 2.39 and 2.34 Å resolution, respectively. Both complexes form a 5’-5’ dimer of parallel GQs capped by NMM at the 3’ G-quartet, supporting the 1:1 binding stoichiometry. Our work provides invaluable details about GQ-ligand binding interactions and informs the design of novel anticancer drugs that selectively recognize specific GQs and modulate their stability for therapeutic purposes.

59 BASIC BIOLOGICAL SCIENCES↗

Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae biogenesis

Colonization factor CFA/I defines the major adhesive fimbriae of enterotoxigenic Escherichia coli and mediates bacterial attachment to host intestinal epithelial cells. The CFA/I fimbria consists of a tip-localized minor adhesive subunit, CfaE, and thousands of copies of the major subunit CfaB polymerized into an ordered helical rod. Biosynthesis of CFA/I fimbriae requires the assistance of the periplasmic chaperone CfaA and outer membrane usher CfaC. Although the CfaE subunit is proposed to initiate the assembly of CFA/I fimbriae, how it performs this function remains elusive. Here, we report the establishment of an in vitro assay for CFA/I fimbria assembly and show that stabilized CfaA-CfaB and CfaA-CfaE binary complexes together with CfaC are sufficient to drive fimbria formation. The presence of both CfaA-CfaE and CfaC accelerates fimbria formation, while the absence of either component leads to linearized CfaB polymers in vitro. We further report the crystal structure of the stabilized CfaA-CfaE complex, revealing features unique for biogenesis of Class 5 fimbriae.

59 BASIC BIOLOGICAL SCIENCES↗

Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 Å resolution: Routes to inhibitor optimization

HIV integrase (IN) inserts viral DNA into the host genome and is the target of the strand transfer inhibitors (STIs), a class of small molecules currently in clinical use. Another potent class of antivirals is the allosteric inhibitors of integrase, or ALLINIs. ALLINIs promote IN aggregation by stabilizing an interaction between the catalytic core domain (CCD) and carboxy-terminal domain (CTD) that undermines viral particle formation in late replication. Ongoing challenges with inhibitor potency, toxicity, and viral resistance motivate research to understand their mechanism. Here, we report a 2.93 Å X-ray crystal structure of the minimal ternary complex between CCD , CTD , and the ALLINI BI-224436. This structure reveals an asymmetric ternary complex with a prominent network of π-mediated interactions that suggest specific avenues for future ALLINI development and optimization.

60 APPLIED LIFE SCIENCES↗

Soil Carbon and Nitrogen Elemental Analysis and Middle Infrared Spectroscopy from the Kougarok Fire Complex, Seward Peninsula, Alaska, 2022

In September and October of 2022, soil samples were collected at the Kougarok Fire Complex near mile marker 86 of the Nome-Taylor Highway on the Seward Peninsula of Alaska. This study site was chosen due to its unique fire history, as the Kougarok Fire Complex has experienced multiple wildfires since 1971. As the Arctic warms, the risk of Arctic tundra fires continues to increase due to warmer summer temperatures and higher frequency of lightning. Burned soil carbon or pyrogenic carbon (PyC) is an important component of C cycling after wildfire, and one that is often overlooked in tundra systems where wildfires are historically rare. To better understand PyC signatures and quantify PyC presence in post-regeneration permafrost regions, soils were sampled from soil pits within the 1971, 2002, and 2019 burn sites, as well as two unburned control sites. At each site, three soil pits were dug to the permafrost table. Soil samples were collected with a trowel from the face of each pit at 10 cm increments down to the permafrost table. Thaw depth, maximum vegetation height, vegetation species composition, and O horizon depth were also collected at each soil pit. An HS2 Hydrosense II Handheld Soil Moisture Sensor was used to collect volumetric soil moisture content at each 10 cm sampling increment. This dataset includes one *.csv of middle infrared spectroscopy measurements of soil samples, one *.csv of field observations, one *.csv of carbon and nitrogen analysis of soil samples, and one *.kml of sampling locations.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic) was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy’s Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy’s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Soil Temperature and Moisture within the Kougarok Fire Complex, Kougarok Road Mile Marker 86, Seward Peninsula, Alaska, 2019-2023

Daily averages of soil temperature and moisture measured once every hour at different heights located at Intensive Monitoring Stations within the Kougarok Fire Complex, Kougarok Road Mile Marker 86 site. Data were retrieved annually from 2019-2023. Package contains 21 *.CSV data files plus a file level metadata *.CSV, data dictionary *.CSV, data file inventory *.CSV, and sensor location site map *.JPG. Data files have header rows, NaN fields indicate invalid or missing data, and negative vertical offsets are above ground.The Kougarok tundra fire complex (KFC) is located north of Nome and the Kigluaik Mountains, near Quartz Creek and the Kougarok River. The site is accessed by foot from the end of the Nome-Taylor Highway (mile marker 86; also called the Kougarok or Beam Road). The KFC burned in six major fires in the decades since 1950 (Alaska Interagency Coordination Center, unpublished data). Lightning ignited five of these fires (1971, 1997, 2015, and 2019) and one was human caused (2002). The mosaic of overlapping fire scars allows for the study of repeat fires in the tundra which, until recently, was not a common phenomenon outside the boreal forest in Alaska. Our reference unburned tundra fire site is south of the KFC located at mile marker 80 of the Nome-Taylor Highway.The two most recent fires are the Mingvk Lake (2015; 21,698 acres burned from 7/27/2015 to 9/28/2015) and Garfield Creek (2019; 422 acres burned from 7/31/2019 to 8/20/19). The Mingvk Lake fire scar includes areas that burned 1-4x (1971, 1997, 2002), while the entirety of the Garfield Creek fire scar has burned 2x previously (1971, 2002).Previous research at the KFC focused on permafrost (Liljedahl et al. 2007; Narita et al. 2015; Iwahana et al. 2016; Tsuyuzaki, Iwahana, and Saito 2017) and vegetation (Narita et al. 2015; Hollingsworth et al. 2021) response to fire. The central Seward Peninsula is characterized by continuous permafrost with a thickness of 15 to 30 m and a mean active layer thickness of 56 cm (Hinzman et al. 2003). Sloping hills with mixed shrub–tussock tundra and tussock tundra vegetation in the uplands are characteristic of the region. Three micrometeorological towers near the Kougarok field site recorded a mean annual temperature of −2.4°C, mean January temperature of −23.1°C, mean July temperature of +11°C, and mean summer rainfall (June–August) of 94 mm from 2000 to 2006 (Liljedahl et al. 2007).The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

New amphiphilic complexes with luminescent rare-earth ions

Organic compounds containing luminous rare-earth ions are of interest for numerous nanophotonic and plasmonic applications, including nanoscale lasers, biosensors, and optical magnetism studies. Optical studies of Eu 3+ complexes revealed that ultra-thin LB monolayers are highly luminescent even when deposited directly on plasmonic metal, which makes these materials very promising for plasmonic applications and studies, including control and enhancement of magnetic dipole emission with a plasmonic environment. In this work, we synthesize amphiphilic complexes with various rare-earth ions Nd 3+ , Yb 3+ , and DPT ligands and show that they all are suitable for monolayer or multilayer deposition with the Langmuir–Blodgett (LB) technique. Graphical abstract

36 MATERIALS SCIENCE↗

Complex Fault Geometry of the 2020 M ww 6.5 Monte Cristo Range, Nevada, Earthquake Sequence

On 15 May 2020 an M ww 6.5 earthquake occurred beneath the Monte Cristo Range in the Mina Deflection region of western Nevada. Rapid deployment of eight temporary seismic stations enabled detailed analysis of its productive and slowly decaying aftershock sequence (p=0.8), which included ~18,000 autodetected events in 3.5 months. Double-difference, waveform-based relative relocation of 16,714 earthquakes reveals a complex network of faults, many of which cross the inferred 35-km-long east–northeast-striking, left-lateral mainshock rupture. Seismicity aligns with left-lateral, right-lateral, and normal mechanism moment tensors of 128 of the largest earthquakes. The mainshock occurred near the middle of the aftershock zone at the intersection of two distinct zones of seismicity. In the western section, numerous subparallel, shallow, north-northeast-striking faults form a broad flower-structure-like fault mesh that coalesces at depth into a near-vertical, left-lateral fault. We infer the near-vertical fault to be a region of significant slip in the mainshock and an eastward extension of the left-lateral Candelaria fault. Near the mainshock hypocenter, seismicity occurs on a northeast-striking, west-dipping structure that extends north from the eastern Columbus Salt Marsh normal fault. Together, these two intersecting structures bound the Columbus Salt Marsh tectonic basin. East of this intersection and the mainshock hypocenter, seismicity occurs in a narrow, near-vertical, east-northeast-striking fault zone through to its eastern terminus. At the eastern end, the aftershock zone broadens and extends northwest toward the southern extension of the northwest-striking, right-lateral Petrified Springs fault system. The eastern section hosts significantly fewer aftershocks than the western section, but has more moment release. We infer that shallow aftershocks throughout the system highlight fault-fracture meshes that connect mapped fault systems at depth. Here, comparing earthquake data with surface ruptures and a simple geodetic fault model sheds light on the complexity of this recent M 6.5 Walker Lane earthquake.

58 GEOSCIENCES↗

Machine-Learning-Based High-Resolution Earthquake Catalog Reveals How Complex Fault Structures Were Activated during the 2016–2017 Central Italy Sequence

The 2016–2017 central Italy seismic sequence occurred on an 80 km long normal-fault system. The sequence initiated with the Mw 6.0 Amatrice event on 24 August 2016, followed by the Mw 5.9 Visso event on 26 October and the Mw 6.5 Norcia event on 30 October. We analyze continuous data from a dense network of 139 seismic stations to build a high-precision catalog of ~900,000 earthquakes spanning a 1 yr period, based on arrival times derived using a deep-neural-network-based picker. Our catalog contains an order of magnitude more events than the catalog routinely produced by the local earthquake monitoring agency. Aftershock activity reveals the geometry of complex fault structures activated during the earthquake sequence and provides additional insights into the potential factors controlling the development of the largest events. Activated fault structures in the northern and southern regions appear complementary to faults activated during the 1997 Colfiorito and 2009 L’Aquila sequences, suggesting that earthquake triggering primarily occurs on critically stressed faults. Delineated major fault zones are relatively thick compared to estimated earthquake location uncertainties, and a large number of kilometer-long faults and diffuse seismicity were activated during the sequence. These properties might be related to fault age, roughness, and the complexity of inherited structures. The rich details resolvable in this catalog will facilitate continued investigation of this energetic and well-recorded earthquake sequence.

58 GEOSCIENCES↗

DE-FE0029488 - North Dakota Integrated Carbon Capture and Storage Complex Feasibility Study Public Data

Data from award DE-FE0029488 - North Dakota Integrated Carbon Capture and Storage Complex Feasibility Study performed by the Energy & Environmental Research Center including the following: - 2D Seismic {Input data, sgy files, maps, logs, and descriptors} - Core Petrophysics {Core analysis of plugs from the two stratigraphic test wells (Flemmer-1 [API 33-057-00039] and BNI-1 [API 33-065-00018])} - North Dakota Oil and Gas File No 37380 Files - North Dakota Oil and Gas File No 37672 Files - Well Testing Data {Summary of well testing methods and results from the stratigraphic test wells (Flemmer-1 and BNI-1)} Additional References: https://www.netl.doe.gov/sites/default/files/2017-12/Wesley-Peck-_Mastering-the-Subsurface_CarbonSAFE-Phase-II_August-2017-final.pdf Peck, W.D., Ayash, S.C., Klapperich, R.J., Gorecki, C.D. (2019) The North Dakota integrated carbon storage complex feasibility study, International Journal of Greenhouse Gas Control, Volume 84, 2019, Pages 47-53, https://doi.org/10.1016/j.ijggc.2019.03.001

Carbon Storage↗

Electron Cooling in NICA Acceleration Complex

The Nuclotron-based Ion Collider fAcility (NICA) is under assembling at JINR. NICA will provide colliding beams for study of hot strongly interacting baryonic matter and spin physics. The NICA injection complex includes a tandem of 2 superconducting synchrotrons: Booster (up to 600 MeV/u) and Nuclotron (up 3.9 GeV/u fully stripped heavy ions). Since the start of injection complex commissioning in 2020 its four Runs were carried out. To the present time the beams of He, Fe, C and Xe were accelerated. Booster electron cooling was first used for cooling of continuous Fe¹⁴⁺ beam at the energy of 3.2 MeV/u in Run II. In the last Run we demonstrated longitudinal cooling of Xe²⁸⁺ in the presence of RF voltage at the Booster injection energy. This regime is required for accumulation in Booster the intensity required for Collider operation. The cooling enabled a 2 times intensity increase of slow extracted beam from Nuclotron. Optimization of Booster electron cooling for beam accumulation will be carried out in the next Run. Another (high voltage) electron cooling system will be used in the NICA Collider rings for ion accumulation in a barrier bucket and consecutive bunch formation.

43 PARTICLE ACCELERATORS↗

State Machine Operation of Complex Systems

Operation of complex systems which depend on one or more other systems with many process variables often operate in more than one state. For each state there may be a variety of parameters of interest, and for each of these, one may require different alarm limits, different archiving needs, and have different critical parameters. Relying on operators to reliably change 10s-1000s of parameters for each system for each state is unreasonable. Not changing these parameters results in alarms being ignored or disabled, critical changes missed, and/or possible data archiving problems. To reliably manage the operation of complex systems, such as cryomodules (CMs), Fermilab is implementing state machines for each CM and an over-arching state machine for the PIP-II superconducting linac (SCL). The state machine transitions and operating parameters are stored/restored to/from a configuration database. Proper implementation of the state machines will not only ensure safe and reliable operation of the CMs, but will help ensure reliable data quality. A description of PIP-II SCL, details of the state machines, and lessons learned from limited use of the state machines in recent CM testing will be discussed.

43 PARTICLE ACCELERATORS↗

Final Booster Complex Design for the Jefferson Lab Electron Ion Collider*

In this work we show the final iteration of the design for the booster complex of the Jefferson Lab EIC, which would have brought the ions from an energy (proton) of 150 MeV up to 12.1 GeV. This complex would have consisted of two figure-8 rings. The Low Energy Booster (LEB) which would have accelerated its protons from 150 MeV to 8 GeV, and has had its lattice tweaked to increase the effectiveness of chromaticity cancellations. The High Energy Booster (HEB) would have brought the 8 GeV protons up to 12.1 GeV. The HEB would in the tunnel that was designed for the collider rings, sitting on top of them. It has had a bypass around the interaction region added, as well as a cooling solenoid installed.

Nissen, E. A.↗

Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design

Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel capabilities for chemistry through complex instruction following capabilities and high quality reasoning, a goal-driven combinatorial search using LLMs has not been explored in detail. In this work, we present a Monte Carlo Tree Search-based approach that improves beyond state-of-the-art chain-of-thought prompting variants to augment scientific reasoning. We introduce two new reasoning datasets: 1) a curation of computational chemistry simulations, and 2) diverse questions written by catalysis researchers for reasoning about novel chemical conversion processes. We improve over the best baseline by 25.8\% and find that our approach can augment scientist's reasoning and discovery process with novel insights.\footnote{All resources will be publicly available upon publication.

Sprueill, Henry W.↗

Winds of Change: Assessing Wind Energy Efficiency in Complex Terrain

In 2015, the Department of Energy (DOE) and the National Oceanic and Atmospheric Administration (NOAA) initiated a four-year study, the Second Wind Forecast Improvement Project (WFIP2), which aims to improve the accuracy of meteorological models that forecast wind speed in complex terrain for applications in wind energy (Wilczak et al.2019). As a part of WFIP2, a dataset was collected in the Columbian River and Basin regions of Oregon and Washington which led to significant wind forecast model improvements (Kenyon et al.2018). Similar to the observations performed in Oregon and Washington, Light Detection and Ranging (LiDAR) systems were deployed at three observation points at the Lawrence Livermore National Laboratory Site 300 Experimental Test Site as part of WFIP2. Site 300, located in the rolling hills approximately ten kilometers from the Altamont Pass Wind Resource Area, represents a second complex terrain location for validating and evaluating the model improvements made using the original Columbian River dataset. The three LiDARsystems continuously collected wind speed and direction data at heights ranging from 10 meters to 150 meters. The data were used to better understand how wind flow is modified over hills and valleys in the Altamont Pass Wind Resource Area and to determine the optimal hub height for new turbine installations in the region. We observed five popular turbine models that are installed in the Altamont Wind Resource Area Using the collected data and comparisons of existing turbine models in the area, the most efficient turbine model for the Altamont Wind ResourceArea based on power output was determined to be the Mitsubishi 1.0MW. Future work related to this research includes further comparing turbine models based on factors including overall cost and effects on wildlife as well as determining optimal spacing between turbine units.

17 WIND ENERGY↗

Learning Interactions in Complex Biological Systems

In this project, we developed novel methods for integrating simulation and data-driven methods to accelerate biomedical discovery. In particular, we exploit agent-based models of disease processes and deep reinforcement learning to identify potential novel multi-drug, patient-specific, and adaptive therapeutic strategies. We use the Innate Immune Response agent-based model (IIRABM) to model sepsis as a demonstration of our approach. We first calibrate the agent-based model using novel stochastic optimization algorithms develop in this project, then use the calibrated model to identify optimal cytokine mediation strategies using deep reinforcement learning (DRL). The learned policy achieves a dramatic reduction in mortality over a set of 500 simulated patients relative to standalone antibiotic therapy. Advantages of our approach are three-fold: 1) the use of simulation allows exploring therapeutic strategies beyond clinical practice and available data, 2) advances in DRL accommodate learning complex therapeutic strategies for complex biological systems, and 3) optimized treatments respond to a patient’s individual disease progression over time, therefore capturing both differences across patients and the inherent randomness of disease progression within a single patient. We hope that this work motivates both considering adaptive, personalized multi-cytokine mediation therapy for sepsis and exploiting simulation with DRL for precision medicine more broadly.

59 BASIC BIOLOGICAL SCIENCES↗

Probing Ultrafast Electron (De)localization Dynamics in Mixed Valence Complexes Using Femtosecond X-ray Spectroscopy (Final Report)

The overall goal of this research program was to understand valence electron and vibrational motion following metal-to-metal charge transfer (MMCT) excitation in the mixed valence complexes dissolved in aqueous solution. The project objectives were (i) to observe the time-dependent re-arrangement of d electrons across two transition metal sites and the bridging ligand following photoinduced MMCT excitation on a sub-50 femtosecond timescale using femtosecond X-ray pulses generated at LCLS (ii) to simulate femtosecond X-ray absorption and emission spectra of solvated, photo-excited, transition metal mixed valence complexes using a realistic treatment of multi-electron correlations/transitions, spin-orbit coupling and final state lifetime effects and to propose and study the feasibility of nonlinear X-ray experiments on solvated transition metal mixed valence systems using future X-FEL light sources and (iii) to determine the role of coupled electronic and vibrational motions during ultrafast photoinduced charge transfer. The final report highlights the scientific results obtained during this funding period.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗