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[ASAP] 3-Nitrene-2-formylthiophene and 3-Nitrene-2-formylfuran: Matrix Isolation, Conformation, and Rearrangement Reactions

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11638




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[ASAP] Theoretical Study on the Reduction Mechanism of Np(VI) by Hydrazine Derivatives

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01504




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[ASAP] The Vagabond Fluorine Atom: Dissociative Photoionization of <italic toggle="yes">trans</italic>-1,3,3,3-Tetrafluoropropene

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01804




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[ASAP] Hydration Structure and Hydrolysis of U(IV) and Np(IV) Ions: A Comparative Density Functional Study Using a Modified Continuum Solvation Approach

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11862




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[ASAP] Two-temperature Collisional-radiative Modeling of Partially Ionized O<sub>2</sub>–Ar Mixtures over 8000–10,000 K Behind Reflected Shock Waves

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00466




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[ASAP] Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01838




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[ASAP] Predicting Deprotonation Sites Using Alchemical Derivatives

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b09472




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[ASAP] Approximating the Strength of the Intramolecular Hydrogen Bond in 2-Fluorophenol and Related Compounds: A New Application of a Classic Technique

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01641




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[ASAP] Conformers of Allyl Isothiocyanate: A Combined Microwave Spectroscopy and Computational Study

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02059




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[ASAP] Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe<sup>3+</sup> as Active Catalytic Specie: A Computational Approach

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b09622




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[ASAP] <italic toggle="yes">Ab Initio</italic> Kinetics of Methylamine Radical Thermal Decomposition and H-Abstraction from Monomethylhydrazine by H-Atom

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02389




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[ASAP] Infrared Photodissociation Spectroscopy of Mass-Selected Cu<sub>2</sub>O<sub>2</sub>(CO)<sub><italic toggle="yes">n</italic></sub><sup>+</sup> Clusters in the Gas Phase

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01813




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[ASAP] Acoustic Vibrations of Al Nanocrystals: Size, Shape, and Crystallinity Revealed by Single-Particle Transient Extinction Spectroscopy

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01190




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[ASAP] Connecting Femtosecond Transient Absorption Microscopy with Spatially Coregistered Time Averaged Optical Imaging Modalities

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11996




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[ASAP] Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01280




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[ASAP] Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF<sub>2</sub>, and ZnO/ZnF<sub>2</sub>: A DFT Investigation within PBE, PBE + <italic toggle="yes">U</italic>, and Hybrid HSE Funct

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11415




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[ASAP] The Conformational Landscape, Internal Rotation, and Structure of 1,3,5-Trisilapentane using Broadband Rotational Spectroscopy and Quantum Chemical Calculations

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01100




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[ASAP] Gas-to-Liquid Phase Transition of PAH at Flame Temperatures

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01912




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[ASAP] An Exact Ewald Summation Method in Theory and Practice

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01684




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[ASAP] Tandem Catalysts for Polyethylene Upcycling: A Simple Kinetic Model

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01363




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[ASAP] Organocatalysis by Halogen, Chalcogen, and Pnictogen Bond Donors in Halide Abstraction Reactions: An Alternative to Hydrogen Bond-Based Catalysis

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01060




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[ASAP] Computational Evidence for Homonuclear Ge<sup>I</sup>Ge<sup>I</sup> Dative Bonds

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11665




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[ASAP] A Multilayer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01793




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[ASAP] Infrared Spectroscopic and Kinetic Characterization on the Photolysis of Nitrite in Alcohol-Containing Aqueous Solutions

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02104




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[ASAP] Molecular Design of Heptazine-Based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00488




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[ASAP] Solvent Dependence of Cationic-Exciplex Emission: Limitation of Solvent Polarity Functions and the Role of Hydrogen Bonding

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01774




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[ASAP] Photochemical Generation of Benzoazetinone by UV Excitation of Matrix-Isolated Precursors: Isatin or Isatoic Anhydride

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02562




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[ASAP] Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01606




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[ASAP] Experimental and Theoretical Soft X-ray Study of Nicotine and Related Compounds

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b11586




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[ASAP] Attracting Opposites: Promiscuous Ion-p Binding in the Nucleobases

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02766




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[ASAP] Vibrational Partition Function for the Multitemperature Theories of High-Temperature Flows of Gases and Plasmas

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01161




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[ASAP] Low-Lying Electronic States of FeGe<italic toggle="yes"><sub>n</sub></italic><sup>–/0</sup> (<italic toggle="yes">n</italic> = 1–3) Clusters Calculated with Multireference Second-O

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c02521




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[ASAP] Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00881




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[ASAP] Density Functional Theory Investigation of the Binding of ThioTEPA to Purine Bases: Thermodynamics and Bond Evolution Theory Analysis

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01792




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09/16:43 EST Cancellation Severe Weather Warning for Snowy Mountains and Australian Capital Territory Forecast Districts.




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09/17:49 EST Cancellation Severe Thunderstorm Warning for Southern Tablelands Forecast District.




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Abolish Parking Fees for Patients at Cancer Centers

Experts call for free parking at cancer centers for patients, because these parking fees can mount up and become a real burden those undergoing frequent treatment sessions.
Medscape Medical News




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Generic Imatinib Cuts Costs Without Affecting CML Outcomes

Clinicians and their chronic myeloid leukaemia patients looking to switch to generic imatinib will see no change in outcomes or safety, while markedly reducing healthcare costs, say UK researchers.
Medscape News UK




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Leptomeningeal Carcinomatosis in Breast Cancer

Leptomeningeal carcinomatosis has been understudied for years, and its increasing prevalence now has researchers working overtime to make much-needed progress in its treatment.
Medscape Oncology




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Onc Daily: DPD Testing Advised, Free Parking at Cancer Centers

These are the most important oncology stories you need to know about today.
Medscape Medical News




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FDA Approves Capmatinib and Companion Assay

The Food and Drug Administration has approved capmatinib for treatment of adults with metastatic non–small cell lung cancer harboring MET exon 14 skipping mutations, as detected by an FDA-approved test.
FDA Approvals




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Community Cancer Practices Battered by Closures, Now COVID-19

Since 2018, there has been a 20.8% increase in practices merging or being acquired, and more recently they have also taken a beating from COVID-19.
Medscape Medical News




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Capmatinib Shows Impressive Results in METex14-Mutated NSCLC

Capmatinib produced rapid, deep responses in patients with advanced non–small cell lung cancer harboring MET exon 14 (METex14) skipping mutations, according to a presentation at the AACR virtual meeting I.
Medscape Medical News




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Are You Honest When Patients Ask, 'What Would You Do?'

Dr David Kerr on when it might be the right decision to tell patients that you believe they're pursuing the wrong treatment.
Medscape Oncology




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New Options for Rare Cancer Mutations: Basket and 'Just-in-Time' Trials

Basket trials and 'just in time' trials are two new options to target actionable genetic mutations in cancer, regardless of tumor type.
Medscape Oncology




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Why Is the UK so Much Better at Molecular Profiling?

Drs Jack West and Sanjay Popat discuss the strengths and limitations of their respective US and UK systems for identifying and treating lung cancer with actionable mutations.
Medscape Oncology




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Transplant Beats Bortezomib-Based Therapy for MM

In a large randomized trial, upfront autologous transplantation bested bortezomib-based intensification therapy for patients with multiple myeloma.
Medscape Medical News




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Metrics for Assessing Physician Activity Using Electronic Health Record Log Data

Electronic health record (EHR) log data have shown promise in measuring physician time spent on clinical activities, contributing to deeper understanding and further optimization of the clinical environment.




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Mathematica Showcases Innovative Analysis, Data Mining, and Visualizations at Health Datapalooza

At this year’s Health Datapalooza in Washington, DC, Mathematica staff will showcase their expertise in data visualizations, machine learning, and data mining to help progress together on critical issues in today’s health policy environment.




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Six-Year Earnings and Disability Benefit Outcomes of Youth Vocational Rehabilitation Applicants

The authors document the earnings in the sixth calendar year after youths’ vocational rehabilitation (VR) applications and Social Security Administration (SSA) benefit outcomes during the six years after their VR applications.