37 results on '"Xu, Lu T."'
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2. Electronic structure of Li1,2,3+,0,– and nature of the bonding in Li2,3+,0,–
3. Electronic structure of Li1,2,3+,0,– and nature of the bonding in Li2,3+,0,–.
4. Electronic structure of Li1,2,3+,0,– and nature of the bonding in Li2,3+,0,–.
5. Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the a4Σ− states of CH and CF.
6. Dynamical electron correlation and the chemical bond. I. Covalent bonds in AH and AF (A = B–F).
7. Why edge inversion? Theoretical characterization of the bonding in the transition states for inversion in
8. Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the a4Σ− states of CH and CF
9. A cautionary tale: Problems in the valence-CASSCF description of the ground state (X1Σ+) of BF.
10. The nature of the chemical bond and the role of non-dynamical and dynamical correlation in Be2.
11. The Effect of the Spin-Forbidden Co((sup 1) Sigma plus) plus O((sup 3) P) Yields CO2 (1 Sigma (sub G) plus) Recombination Reaction on Afterbody Heating of Mars Entry Vehicles
12. Correction to “Orbital Hybridization in Modern Valence Bond Wave Functions: Methane, Ethylene, and Acetylene”
13. New Insights into the Remarkable Difference between CH5– and SiH5–
14. Why edge inversion? Theoretical characterization of the bonding in the transition states for inversion in F n NH(3−n) and FnPH(3−n) (n = 0–3)
15. Nature of the Bonding in the Bifluoride Anion, FHF–
16. Why edge inversion? Theoretical characterization of the bonding in the transition states for inversion in $$\mathrm{F}_{n}\mathrm{NH}_{(3-n)}\; \mathrm{and}\; \mathrm{F}_\mathrm{n}\mathrm{PH}_{(3-n)}(n=0-3)$$
17. Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds
18. Resolving a puzzling anomaly in the spin‐coupled generalized valence bond description of benzene
19. Fundamental aspects of recoupled pair bonds. I. Recoupled pair bonds in carbon and sulfur monofluoride.
20. Fundamental aspects of recoupled pair bonds. II. Recoupled pair bond dyads in carbon and sulfur difluoride.
21. Spin-Coupled Generalized Valence Bond Description of Group 14 Species: The Carbon, Silicon and Germanium Hydrides, XHn (n = 1–4)
22. Orbital Hybridization in Modern Valence Bond Wave Functions: Methane, Ethylene, and Acetylene.
23. The Effect of the Spin-forbidden CO (1Σ+) + O (3P) → CO2 (1Σg+) Recombination Reaction on Afterbody Heating of Mars Entry Vehicles
24. Spin-Coupled Generalized Valence Bond Description of Group 14 Species: The Carbon, Silicon and Germanium Hydrides, XHn (n = 1–4).
25. Variations in the Nature of Triple Bonds: The N2, HCN, and HC2H Series
26. Insights into the Electronic Structure of Molecules from Generalized Valence Bond Theory
27. Spin-Coupled Generalized Valence Bond Description of Group 14 Species: The Carbon, Silicon and Germanium Hydrides, XHn(n= 1–4)
28. Generalized Valence Bond Description of the Ground States (X1Σg+) of Homonuclear Pnictogen Diatomic Molecules: N2, P2, and As2
29. Insights into the Perplexing Nature of the Bonding in C2 from Generalized Valence Bond Calculations
30. Variations in the Nature of Triple Bonds: The N2, HCN, and HC2H Series.
31. Insights into the Perplexing Nature of the Bonding in C2from Generalized Valence Bond Calculations
32. Electronic structure of Li 1,2,3 +,0,- and nature of the bonding in Li 2,3 +,0, .
33. Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the a 4 Σ - states of CH and CF.
34. New Insights into the Remarkable Difference between CH 5 - and SiH 5 .
35. Spin-Coupled Generalized Valence Bond Theory: New Perspect i ves on the Electronic Structure of Molecules and Chemical Bonds.
36. Spin-Coupled Generalized Valence Bond Description of Group 14 Species: The Carbon, Silicon and Germanium Hydrides, XH n ( n = 1-4).
37. Insights into the Perplexing Nature of the Bonding in C2 from Generalized Valence Bond Calculations.
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