22 results on '"Jordan, Meredith J. T."'
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2. Path integrals with higher order actions: Application to realistic chemical systems
3. The energy dependence of CO(v,J) produced from H2CO via the transition state, roaming, and triple fragmentation channels
4. Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials
5. “Plug-and-Play” potentials: Investigating quantum effects in (H2)2–Li+–benzene
6. A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors
7. Generating accurate dipole moment surfaces using modified Shepard interpolation
8. Quantum effects and anharmonicity in the H2-Li+-benzene complex: A model for hydrogen storage materials
9. Modeling molecular response in uniform and non-uniform electric fields
10. Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH
11. Photochemical formation of HCO and CH3 on the ground S0 (A1′) state of CH3CHO
12. A classical trajectory study of the photodissociation of T1 acetaldehyde: The transition from impulsive to statistical dynamics
13. Efficiency considerations in the construction of interpolated potential energy surfaces for the calculation of quantum observables by diffusion Monte Carlo
14. Ab initio potential energy surface for the reactions between H2O and H
15. Polyatomic molecular potential energy surfaces by interpolation in local internal coordinates
16. A comparative study of anharmonicity and matrix effects on the complexes XH:NH3, X=F, Cl, and Br
17. Molecular potential energy surfaces by interpolation in Cartesian coordinates
18. Classical and approximate quantum investigations of vibrational energy transfer in S1 p-difluorobenzene
19. An interpolated unrestricted Hartree–Fock potential energy surface for the OH+H2→H2O+H reaction
20. The utility of higher order derivatives in constructing molecular potential energy surfaces by interpolation
21. Classical trajectory studies of the reaction CH4+H→CH3+H2
22. Convergence of molecular potential energy surfaces by interpolation: Application to the OH+H2→H2O+H reaction
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