103 results on '"Felker, Peter M."'
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2. H2O–HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations
3. HF trimer: 12D fully coupled quantum calculations of HF-stretch excited intramolecular and intermolecular vibrational states using contracted bases of intramolecular and intermolecular eigenstates
4. Erratum: “Intermolecular vibrational states of HF trimer from rigorous nine-dimensional quantum calculations: Strong coupling between intermolecular bending and stretching vibrations and the importance of the three-body interactions” [J. Chem. Phys. 157, 194103 (2022)]
5. Intermolecular vibrational states of HF trimer from rigorous nine-dimensional quantum calculations: Strong coupling between intermolecular bending and stretching vibrations and the importance of the three-body interactions
6. H2O inside the fullerene C60: Inelastic neutron scattering spectrum from rigorous quantum calculations
7. Intermolecular rovibrational states of the H2O–CO2 and D2O–CO2 van der Waals complexes
8. Noncovalently bound molecular complexes beyond diatom–diatom systems: full-dimensional, fully coupled quantum calculations of rovibrational states
9. Intra- and intermolecular rovibrational states of HCl-H2O and DCl-H2O dimers from full-dimensional and fully coupled quantum calculations
10. DCl–H2O, HCl–D2O, and DCl–D2O Dimers: Inter- and Intramolecular Vibrational States and Frequency Shifts from Fully Coupled Quantum Calculations on a Full-Dimensional Neural Network Potential Energy Surface
11. HDO–CO Complex: D-Bonded and H-Bonded Isomers and Intra- and Intermolecular Rovibrational States from Full-Dimensional and Fully Coupled Quantum Calculations
12. HCl–H2O dimer: an accurate full-dimensional potential energy surface and fully coupled quantum calculations of intra- and intermolecular vibrational states and frequency shifts
13. H2O–CO and D2O–CO complexes: Intra- and intermolecular rovibrational states from full-dimensional and fully coupled quantum calculations
14. Light molecules inside the nanocavities of fullerenes and clathrate hydrates: inelastic neutron scattering spectra and the unexpected selection rule from rigorous quantum simulations
15. Benzene–H2O and benzene–HDO: Fully coupled nine-dimensional quantum calculations of flexible H2O/HDO intramolecular vibrational excitations and intermolecular states of the dimers, and their infrared and Raman spectra using compact bases
16. Flexible water molecule in C60: Intramolecular vibrational frequencies and translation-rotation eigenstates from fully coupled nine-dimensional quantum calculations with small basis sets
17. Picosecond Time-Resolved Dynamics of Vibrational-Energy Redistribution and Coherence in Beam-Isolated Molecules
18. Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets
19. APPLICATIONS OF MASS-SELECTIVE IONIZATION-LOSS STIMULATED RAMAN SPECTROSCOPY IN STUDIES OF MOLECULAR COMPLEXES AND CLUSTERS
20. Rates of Photoisomerization of trans-Stilbene in Isolated and Solvated Molecules: Experiments on the Deuterium Isotope Effect and RRKM Behavior
21. Photodissociation of partially solvated molecules in beams by the picosecond-jet technique: Hydrogen bond breakage
22. Purely rotational coherence effect and time-resolved sub-Doppler spectroscopy of large molecules I: Theoretical
23. Direct Observation of Nonchaotic Multilevel Vibrational Energy Flow in Isolated Polyatomic Molecules
24. The Endofullerene HF@C60: Inelastic Neutron Scattering Spectra from Quantum Simulations and Experiment, Validity of the Selection Rule, and Symmetry Breaking
25. Weakly bound molecular dimers: Intramolecular vibrational fundamentals, overtones, and tunneling splittings from full-dimensional quantum calculations using compact contracted bases of intramolecular and low-energy rigid-monomer intermolecular eigenstates
26. Coupled Translation-Rotation Dynamics of H2 and H2 O Inside C60 : Rigorous Quantum Treatment
27. Effects of symmetry breaking on the translation–rotation eigenstates of H2, HF, and H2O inside the fullerene C60
28. Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies
29. Electric-dipole-coupled H2O@C60 dimer: Translation-rotation eigenstates from twelve-dimensional quantum calculations
30. Explaining the symmetry breaking observed in the endofullerenes H2@C60, HF@C60, and H2O@C60
31. Translation-rotation states of H2 in C60: New insights from a perturbation-theory treatment
32. Communication: Quantum six-dimensional calculations of the coupled translation-rotation eigenstates of H2O@C60
33. Rotational constants and structure of para-difluorobenzene determined by femtosecond Raman coherence spectroscopy: A new transient type
34. Fully quantal calculation of H2 translation-rotation states in the (p-H2)2@51264 clathrate hydrate inclusion compound
35. Picosecond Photo-Chemistry and Spectroscopy in Supersonic Beams
36. Molecular Structures from Ultrafast Coherence Spectroscopy
37. Fully quantal calculation of H2 translation-rotation states in (H2)4@51264 clathrate sII inclusion compounds
38. He–, Ne–, and Ar–Phosgene Intermolecular Potential Energy Surfaces
39. Nuclear-orbital/configuration-interaction study of coupled translation-rotation states in (H2)2@C70
40. Ab initio ground state phenylacetylene–argon intermolecular potential energy surface and rovibrational spectrum
41. The Benzene−Argon Ground-State Intermolecular Potential Energy Surface Revisited
42. Vibrational Spectroscopy and Dynamics in the CH-Stretch Region of Fluorene by IVR-Assisted, Ionization-Gain Stimulated Raman Spectroscopy†
43. The Fluorobenzene−Argon S1 Excited-State Intermolecular Potential Energy Surface
44. The p-Difluorobenzene−Argon S1 Excited State Intermolecular Potential Energy Surface
45. Solvent configuration-interaction calculations of intermolecular states in molecule-(atom)N clusters: Application to Br2–HeN4
46. p-Difluorobenzene−Argon Ground State Intermolecular Potential Energy Surface
47. Computational and experimental investigation of intermolecular states and forces in the benzene–helium van der Waals complex
48. Intermolecular Hamiltonian for solute–solventn clusters and application to the (1|1) isomer of anthracene–He2
49. Structural study of the hydrogen-bonded 1-naphthol⋅(NH3)2 cluster
50. Study of the benzene⋅N2 intermolecular potential-energy surface
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