1,129 results on '"Sun, Chia-Chung"'
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2. Theoretical study of the low-lying electronic states of CCCF radical and its ions
3. Substitutional doping of BN nanotube by transition metal: A density functional theory simulation
4. Theoretical study on the potential energy surface of the Si 2PO system
5. Theoretical studies on structures and spectroscopic properties of a series of heteroleptic iridium complexes based on tridentate bis(benzimidazolyl)pyridine ligand
6. Theoretical investigation of charge injection and transport properties of novel organic semiconductor materials—cyclic oligothiophenes
7. The formation and decomposition of firefly dioxetanone
8. Direct ab initio dynamics study of the reaction of C 2(A 3Π u) radical with C 2H 6
9. Theoretical studies of chemisorption of NO 2 molecules on SiC nanotube
10. Dissipative particle dynamics study on the multicompartment micelles self-assembled from the mixture of diblock copolymer poly(ethyl ethylene)-block-poly(ethylene oxide) and homopolymer poly(propylene oxide) in aqueous solution
11. The sandwich structure electrodes based on wire-like TiO 2–β-cyclodextrin–SWCNT composite for dye-sensitized solar cells
12. A density functional theory study on photophysical properties of red light-emitting materials: Meso-substituted porphyrins
13. The potential of transition metal–methylidynes as high-capacity hydrogen storage media
14. Atomic radical–molecule reaction N ( 4S) + NO 2 ( 2A 1): Mechanistic study
15. Theoretical studies on the reaction mechanism of O( 1D) with CH 3OCF 3
16. The effects of external electric field: creating non-zero first hyperpolarizability for centrosymmetric benzene and strongly enhancing first hyperpolarizability for non-centrosymmetric edge-modified graphene ribbon H2N-(3,3)ZGNR-NO2
17. Influence of C-terminal tail deletion on structure and stability of hyperthermophile Sulfolobus tokodaii RNase HI
18. Direct ab initio study on the rate constants of radical C2(A3Πu) + C3H8 reaction
19. Theoretical studies on structures and stabilities of C4H2 + isomers
20. Effect of molecular architecture on the morphology diversity of the multicompartment micelles: A dissipative particle dynamics simulation study
21. Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetylene
22. Theoretical study on photophysical properties of 2,1,3-benzothiadiazole-based star-shaped molecules
23. Low-lying electronic states of HNCS and its ions: a CASSCF/CASPT2 study
24. Theoretical study on the [Si, C, P, S] potential energy surface
25. Perfluorinated exohedral potassium-metallofullerene K···C n F n (n = 20 or 60): partial interior and surface excess electron state
26. CASPT2 and CASSCF studies on the low-lying electronic states of the HCCO radical and its anion
27. Theoretical study on the ion–molecule reaction of HCN+ with NH3
28. Hydrogen abstraction from CF3CF2CFH2 and CF3CFHCF2H by OH radicals and Cl atoms: theoretical enthalpies and rate constants
29. Radical reaction HCNO + 3NH: a mechanistic study
30. Theoretical study on the mechanism of C2Cl3 + NO2 reaction
31. Analysis of a three-dimensional structure of human acidic mammalian chitinase obtained by homology modeling and ligand binding studies
32. Theoretical explorations on the armchair BN nanotube with defects
33. CSi2Ga2: a neutral planar tetracoordinate carbon (ptC) building block
34. The Si-doped planar tetracoordinate carbon (ptC) unit CAl3Si− could be used as a building block or inorganic ligand during cluster-assembly
35. A CASPT2//CASSCF study of the quartet excited state $$\tilde{a}^{4}A^{\prime\prime}$$ of the HCNN radical
36. Theoretical study on the potential energy surface of NC3P isomers
37. A barrier-free molecular radical-molecule reaction: \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${^{3}C_{2} (a^{3}\Pi) {+} O_{2} (X^{3} \Sigma)}$$\end{document}
38. Theoretical study on the mechanism of OH + HCNO reaction
39. Theoretical study on structures and stability of triplet SiC3O isomers
40. Radical–molecule reaction CH2Cl + NO2: a mechanistic study
41. Atomic radical—molecule reactions F + CH3C≡CH: mechanistic study
42. A theoretical investigation on the absorption and emission properties of isomeric benzofuran trimers
43. Structure and Stability of Isomers of the Promising Interstellar Molecule PC3O
44. A molecular-dynamics simulation study of diffusion of a single model carbonic chain on a graphite (001) surface
45. Theoretical study of two-photon absorption properties for donor/acceptor-functionalized tetrakis(phenylethynyl)benzenes and bis(dehydrobenzoannuleno)benzenes
46. Cl + HONO reaction: Are the hydrogen abstraction and addition direct/indirect processes?
47. Homology modeling and PAPS ligand (cofactor) binding study of bovine phenol sulfotransferase
48. Theoretical study of one- and two-photon absorption properties of olefin-linked paracyclophane oligomers
49. Direct ab initio dynamics calculations on the rate constants for the hydrogen-abstraction reaction of C2H5F with O (3P)
50. Theoretical study on structures and stability of HC2P isomers
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