175 results on '"Jordan, Meredith J. T."'
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2. The Effect of β‑Hydrogens on the Tropospheric Photochemistry of Aldehydes: Norrish Type 1, Triple Fragmentation, and Methylketene Formation from Propanal.
3. Photo-Tautomerization of Acetaldehyde to Vinyl Alcohol: A Potential Route to Tropospheric Acids
4. Roaming Reaction Pathways Along Excited States
5. An assessment of the tropospherically accessible photo-initiated ground state chemistry of organic carbonyls
6. Roaming Is the Dominant Mechanism for Molecular Products in Acetaldehyde Photodissociation
7. Zero-point energy conservation in classical trajectory simulations: Application to H2CO.
8. Can proton-shared or ion-pair N-H-N hydrogen bonds be produced in uncharged complexes? A systematic ab initio study of the structures and selected NMR and IR properties of complexes with N-H-N hydrogen bonds
9. Rotational resonances in the H 2 CO roaming reaction are revealed by detailed correlations
10. The Under-Explored Possibilities of Ground State Carbonyl Photochemistry
11. Structural Causes of Singlet/triplet Preferences of Norrish Type II Reactions in Carbonyls
12. Predicting Carbonyl Excitation Energies Efficiently Using EOM-CC Trends
13. Structural Effects on the Norrish Type I α-Bond Cleavage of Tropospherically Important Carbonyls
14. Quantum Effects in Loosely Bound Complexes
15. Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials.
16. "Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li+-benzene.
17. Photo-initiated ground state chemistry: How important is it in the atmosphere?
18. Dynamics and quantum yields of H2 + CH2CO as a primary photolysis channel in CH3CHO
19. Generating accurate dipole moment surfaces using modified Shepard interpolation.
20. Quantum effects and anharmonicity in the H2-Li+-benzene complex: A model for hydrogen storage materials.
21. Modeling molecular response in uniform and non-uniform electric fields.
22. Rotational resonances in the H2CO roaming reaction are revealed by detailed correlations.
23. Photo-tautomerization of acetaldehyde as a photochemical source of formic acid in the troposphere
24. Zero-point energy conservation in classical trajectory simulations: Application to H2CO
25. Path integrals with higher order actions: Application to realistic chemical systems
26. Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH.
27. Photochemical formation of HCO and CH3 on the ground S0 (1A′) state of CH3CHO.
28. A classical trajectory study of the photodissociation of T1 acetaldehyde: The transition from impulsive to statistical dynamics.
29. Efficiency considerations in the construction of interpolated potential energy surfaces for the calculation of quantum observables by diffusion Monte Carlo.
30. On the extent of intramolecular hydrogen bonding in gas-phase and hydrated 1,2-ethanediol
31. The energy dependence of CO(v,J) produced from H2CO via the transition state, roaming, and triple fragmentation channels
32. Infrared Spectra of Gas-Phase 1- and 2-Propenol Isomers
33. Dynamics and quantum yields of H2 + CH2CO as a primary photolysis channel in CH3CHO.
34. An interpolated unrestricted Hartree–Fock potential energy surface for the OH+H2→H2O+H reaction.
35. The utility of higher order derivatives in constructing molecular potential energy surfaces by interpolation.
36. Classical trajectory studies of the reaction CH4+H→CH3+H2.
37. Convergence of molecular potential energy surfaces by interpolation: Application to the OH+H2→H2O+H reaction.
38. To what extent do external fields and vibrational and isotopic effects influence NMR coupling constants across hydrogen bonds? two-bond Cl-N spin-spin coupling constants [(super 2h)J(sub Cl-N)] in model ClH:NH3 complexes
39. Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials
40. H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum Simulation
41. “Plug-and-Play” potentials: Investigating quantum effects in (H2)2–Li+–benzene
42. A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors
43. Two roaming pathways in the photolysis of CH3CHO between 328 and 308 nm
44. Experimental and Theoretical Investigation of Triple Fragmentation in the Photodissociation Dynamics of H2CO
45. A Phase Space Theory for Roaming Reactions
46. H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum Simulation.
47. Phototautomerization of Acetaldehyde to Vinyl Alcohol: A Primary Process in UV-Irradiated Acetaldehyde from 295 to 335 nm
48. The enantiomers of syn-2,3-difluoro-4-aminobutyric acid elicit opposite responses at the GABACreceptor
49. Chemistry at the threshold: Unexpected products, unusual mechanisms, and generally weird things that happen near the energetic threshold for a reaction
50. Near-threshold H/D exchange in CD3CHO photodissociation
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