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171 results on '"Lee, Timothy J."'

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1. Unraveling Abusive Supervision Climate in Aircrew Workplaces: The Roles of Temporary Organizational Features, Trust, and Gender Dynamics.

2. The Contribution of Animal-Based Cultural Ecosystem Services to Tourist Well-Being at Cultural Heritage Sites.

3. Communication: The failure of correlation to describe carbon=carbon bonding in out-of-plane bends.

4. Contributions to sustainable tourism in small islands: an analysis of the Cittàslow movement.

5. Sustainable development for small island tourism: developing slow tourism in the Caribbean.

6. Accurate ab initio quartic force fields for NH2- and CCH- and rovibrational spectroscopic constants for their isotopologs.

7. Are isomers of the vinyl cyanide ion missing links for interstellar pyrimidine formation?

8. A procedure for computing accurate ab initio quartic force fields: Application to HO2+ and H2O.

9. Visually guided and context-dependent spatial navigation in the translucent fish Danionella cerebrum.

10. Time-dependent density functional study on the electronic excitation energies of polyclinic...

11. The influence of social support from intermediary organizations on innovativeness and subjective happiness in community-based tourism.

12. Highly accurate potential energy surface and dipole moment surface for nitrous oxide and 296K infrared line lists for 14N216O and minor isotopologues.

13. Quantum chemical exploration of the binding motifs and binding energies of neutral molecules, radicals and ions with small water clusters: characterisation and astrochemical implications.

14. The possibility of :CNH[formula omitted] within Titan's atmosphere: Rovibrational analysis of :CNH[formula omitted] and :CCH2.

15. Transport and trapping of nanosheets via hydrodynamic forces and curvature-induced capillary quadrupolar interactions.

16. Formulation and implementation of a relativistic unrestricted coupled-cluster method including noniterative connected triples.

17. The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations.

18. An accurate ab initio quartic force field and vibrational frequencies for CH4 and isotopomers.

19. An accurate quartic force field and vibrational frequencies for HNO and DNO.

20. Coupled-cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks.

21. Open-shell restricted Hartree–Fock perturbation theory: Some considerations and comparisons.

22. A coupled-cluster study of XNO (X=H,F,Cl): An investigation of weak X–N single bonds.

23. Open-shell coupled-cluster theory.

24. The protonation of N2O reexamined: A case study on the reliability of various electron correlation methods for minima and transition states.

25. An accurate ab initio quartic force field for ammonia.

26. Ab initio multireference study of the BN molecule.

27. An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2.

28. FONO: A difficult case for theory and experiment.

29. Comparison of the Brueckner and coupled-cluster approaches to electron correlation.

30. An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function: Application to Cl2O2.

31. Analytic gradients for coupled-cluster energies that include noniterative connected triple excitations: Application to cis- and trans-HONO.

32. Theoretical characterization of tetrahedral N4.

33. Vibrations in small Mg clusters.

34. Comparison of coupled-cluster methods which include the effects of connected triple excitations.

35. The vibrational frequencies of ozone.

36. Vibrational frequencies for Be3 and Be4.

37. Theoretical investigations of the structures and binding energies of Ben and Mgn(n=3–5) clusters.

38. The molecular structure and vibrational spectrum of the cyclopropenyl cation, C3H+3, and its deuterated isotopomers.

39. The effects of triple and quadruple excitations in configuration interaction procedures for the quantum mechanical prediction of molecular properties.

40. The analytic gradient for the coupled pair functional method: Formula and application for HCl, H2CO, and the dimer H2CO···HCl.

41. The analytic evaluation of energy first derivatives for two-configuration self-consistent-field configuration interaction (TCSCF-CI) wave functions. Application to ozone and ethylene.

42. Theory for externally contracted configuration interaction energy gradients.

43. The efficient evaluation of configuration interaction analytic energy second derivatives: Application to hydrogen thioperoxide, HSOH.

44. The classical and nonclassical forms of protonated acetylene, C2H+3. Structures, vibrational frequencies, and infrared intensities from explicitly correlated wave functions.

45. Ab initio investigation of the atmospheric molecule bromine nitrate: Equilibrium structure....

46. A purely ab initio spectroscopic quality quartic force field for acetylene.

47. Ab initio quartic force fields for anions: A benchmark study on [sup 16]OH[sup -],...

48. Spin-restricted Brueckner orbitals for coupled-cluster wavefunctions.

49. A new spin-restricted triple excitation correction for coupled cluster theory.

50. Nitrogen quadrupole coupling constants for HCN and H2CN+: Explanation of the absence of fine structure in the microwave spectrum of interstellar H2CN+.

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