72 results on '"Lee, Timothy J."'
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2. The unsolved issue with out-of-plane bending frequencies for C[dbnd]C multiply bonded systems
3. Exploring the limits of the Data-Model-Theory synergy: “Hot” MW transitions for rovibrational IR studies
4. Limited rotational and rovibrational line lists computed with highly accurate quartic force fields and ab initio dipole surfaces
5. On the use of quartic force fields in variational calculations
6. A group increment scheme for infrared absorption intensities of greenhouse gases
7. Co-creation of the tourist experience: A systematic assessment scale.
8. Accurate spectroscopic characterization of 12C 14N −, 13C 14N −, and 12C 15N −
9. Accurate calculations on excited states: new theories applied to the –OX, –XO, and –XO 2 (X=Cl and Br) chromophores and implications for stratospheric bromine chemistry
10. The role and dimensions of authenticity in heritage tourism.
11. Perceptions of university students of 'tourism-focused English' as a second language: The case of Korean universities.
12. Korean tourists' experience of intercultural communication through English as a Lingua Franca (ELF) in overseas travel: A grounded theory approach.
13. Does tourism illuminate the darkness of Hiroshima and Nagasaki?
14. Exploring visitor brand citizenship behavior: The case of the ‘MICE city Busan’, South Korea.
15. Consumer-based chain restaurant brand equity, brand reputation, and brand trust.
16. Comparison of the T1 and D1 diagnostics for electronic structure theory: a new definition for the open-shell D1 diagnostic
17. Comparison of the <f>T1</f> and <f>D1</f> diagnostics for electronic structure theory: a new definition for the open-shell <f>D1</f> diagnostic
18. An accurate quartic force field, fundamental frequencies, and binding energy for the high energy density material <f>TdN4</f>
19. An accurate quartic force field, fundamental frequencies, and binding energy for the high energy density material T dN 4
20. Towards the synthesis of the high energy density material T dN 4: excited electronic states
21. Estimating the economic value of urban forest parks: Focusing on restorative experiences and environmental concerns.
22. The interaction between individual cultural values and the cognitive and social processes of global restaurant brand equity.
23. Isotopologue consistency of semi-empirically computed infrared line lists and further improvement for rare isotopologues: CO2 and SO2 case studies.
24. Quantitative validation of Ames IR intensity and new line lists for 32/33/34S16O2, 32S18O2 and 16O32S18O.
25. Inclusion of 13C and D in protonated acetylene.
26. An accurate ab initio quartic force field and vibrational frequencies for cyclopropenylidene
27. How bent can a benzene be? The molecular structure, infrared spectrum and energetics of [6]paracyclophane
28. Fourfold clusters of rovibrational energies in H 2Te studied with an ab initio potential energy function
29. Quantum chemistry on parallel computer architectures: coupled-cluster theory applied to the bending potential of fulminic acid
30. Connected triple excitations in coupled-cluster calculations of hyperpolarizabilities: neon
31. The calculation of the vibrational frequencies of CuCO +, NiCO and CuCH 3
32. The origin of differences between coupled cluster theory and quadratic configuration interaction for excited states
33. A coupled-cluster study of HNO 2 and FNO 2
34. The molecular structure of cis-FONO
35. On the energy separation between the open and cyclic forms of ozone
36. An efficient closed-shell singles and doubles coupled-cluster method
37. The molecular structures and energetics of [7]paracyclophane and [8]paracyclophane. an investigation of the boundaries of aromaticity
38. Accurate ab initio quartic force fields for the N 2O and CO 2 molecules
39. The form of spin orbitals for open-shell restricted Hartree—Fock reference functions
40. Ab initio potential energy surface for IHI −b. Simulation of IHI − photodetachment spectra
41. A doubles correction to electronic excited states from configuration interaction in the space of single substitutions
42. A global ab initio potential for HCN/HNC, exact vibrational energies, and comparison for experiment
43. A parallel vectorized implementation of triple excitations in CCSD(T): application to the binding energies of the AlH 3, AlH 2F, AlHF 2 and AlF 3 dimers
44. The structure and energetics of the HCN → HNC transition state
45. The structure of cis-butadiene
46. The polarizabilities of neon
47. Comparison of single and double excitation coupled cluster and configuration interaction theories: determination of structure and equilibrium propertie
48. Molecular structure and infrared spectrum of protonated nitrous oxide
49. Accelerating the convergence of the coupled-cluster approach: The use of the DIIS method
50. Spin-orbit and diagonal born-oppenheimer corrections for the reaction F + H 2 → HF + H
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