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Results for “physical chemistry”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 901 records · Page 50

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Millimeter/Submillimeter-wave Spectroscopy and the Semi-experimental Equilibrium ( r e SE ) Structure of 1 H -1,2,4-Triazole ( c -C 2 H 3 N 3 )

Not provided.

Chemistry↗

DOE OSTI2022

Effective Fragment Potentials for Microsolvated Excited and Anionic States

Not provided.

Chemistry↗

DOE OSTI2023

Study of Low- and Intermediate-Temperature Oxidation Kinetics of Diethyl Ether in a Supercritical Pressure Jet-Stirred Reactor

Not provided.

Chemistry↗

DOE OSTI2022

Absolute Hydration Free Energy of Small Anions and the Aqueous p K a of Simple Acids

Not provided.

Chemistry↗

DOE OSTI2023

Ethylcarbene versus Direct Propene Formation in the Near-UV Photodissociation of Ethylketene

Not provided.

Chemistry↗

DOE OSTI2023

Rotamers of Methanediol: Composite Ab Initio Predictions of Structures, Frequencies, and Rovibrational Constants

Not provided.

Chemistry↗

DOE OSTI2023

Carrier-Envelope Phase Controlling of Ion Momentum Distributions in Strong Field Double Ionization of Methyl Iodide

Not provided.

Chemistry↗

DOE OSTI2022

Computational Insights into Electronic Excitations, Spin–Orbit Coupling Effects, and Spin Decoherence in Cr(IV)-Based Molecular Qubits

Not provided.

Chemistry↗

DOE OSTI2022

Excited State and Transient Chemistry of a Perylene Derivative (DBP). An Untold Story

Not provided.

Chemistry↗

DOE OSTI2023

Isotope Effects on Ground and Excited States of Ethyl Cation, H + (C 2 H 4 )

Not provided.

Chemistry↗

DOE OSTI2023

Butyl Acetate Pyrolysis and Combustion Chemistry: Mechanism Generation and Shock Tube Experiments

Not provided.

Chemistry↗

DOE OSTI2023

Spectroscopic Characterization of the Divalent Metal Docking Motif to Isolated Cyanobenzoate: Direct Observation of Tridentate Binding to ortho -Cyanobenzoate and Implications for the CN Response

Not provided.

Chemistry↗

DOE OSTI2022

Advances in Parallel Heat Bath Configuration Interaction

Not provided.

Chemistry↗

DOE OSTI2023

Novel Ultrafast Molecular Imaging Based on the Combination of X-ray and Electron Diffraction

Not provided.

Chemistry↗

DOE OSTI2022

Effects of Solvent Dielectric on Thermally Activated Delayed Fluorescence: A Predictive Computational Polarization Consistent Approach

Not provided.

Chemistry↗

DOE OSTI2023

High-Level Coupled-Cluster Study on Substituent Effects in H 2 Activation by Low-Valent Aluminyl Anions

Not provided.

Chemistry↗

DOE OSTI2023

Solving Anderson Impurity Model by the Effective Hamiltonian Theory

Not provided.

Chemistry↗

DOE OSTI2023

Bonding, Thermodynamics, and Spectroscopy of the Metal Borides UB 0/+/– and WB 0/+/–

Not provided.

Chemistry↗