Elucidation of the Forces Governing the Stereochemistry of Biphenyl.
- Published in:
- European Journal of Organic Chemistry, 2013, v. 2013, n. 3, p. 611, doi. 10.1002/ejoc.201201273
- By:
- Publication type:
- Article
Works matching AU Wu, Hai-Shun
Results: 39
1
2
Structure and Stability of C<sub>20</sub>H<sub>3</sub> Radical.
- Published in:
- Chinese Journal of Chemistry, 2008, v. 26, n. 12, p. 2307, doi. 10.1002/cjoc.200890409
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- Publication type:
- Article
3
Structure and Stability of Endohedral Complexes X@(HBNH)<sub>12</sub>.
- Published in:
- Chinese Journal of Chemistry, 2006, v. 24, n. 11, p. 1509, doi. 10.1002/cjoc.200690285
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- Publication type:
- Article
4
Structure and Stability of (HBNH)<sub> n</sub> Clusters.
- Published in:
- Chinese Journal of Chemistry, 2006, v. 24, n. 6, p. 731, doi. 10.1002/cjoc.200690139
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- Publication type:
- Article
5
Structure and Stability of B<sub>20</sub>N<sub>20</sub> Cluster.
- Published in:
- Chinese Journal of Chemistry, 2005, v. 23, n. 2, p. 117, doi. 10.1002/cjoc.200590117
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- Publication type:
- Article
6
Mechanisms and Activity of 1‐Phenylethanol Dehydrogenation Catalyzed by Bifunctional NHC‐Ir<sup>III</sup> Complex.
- Published in:
- European Journal of Organic Chemistry, 2019, v. 2019, n. 24, p. 3929, doi. 10.1002/ejoc.201900377
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- Publication type:
- Article
7
A giant enhancement of magnetic moment in a ternary three-shell icosahedral cluster: Fe@Mn<sub>12</sub>@Au<sub>20</sub>.
- Published in:
- Molecular Physics, 2020, v. 118, n. 7, p. 1, doi. 10.1080/00268976.2019.1659434
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- Publication type:
- Article
8
The effect of group-substitution on the sensitization properties of alkynylrhenium(I) tricarbonyl diimine complexes adsorbed to TiO2(101) film surface: a theoretical study.
- Published in:
- Journal of Molecular Modeling, 2020, v. 26, n. 2, p. 1, doi. 10.1007/s00894-020-4294-y
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- Publication type:
- Article
9
A comparative theoretical study on the electrical and nonlinear optical properties of Li atom adsorbed on AlN and BN single-walled nanotubes.
- Published in:
- Journal of Molecular Modeling, 2017, v. 23, n. 10, p. 1, doi. 10.1007/s00894-017-3460-3
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- Publication type:
- Article
10
Mechanistic investigation of palladium-catalyzed amidation of aryl halides.
- Published in:
- Journal of Molecular Modeling, 2016, v. 22, n. 3, p. 1, doi. 10.1007/s00894-016-2920-5
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- Publication type:
- Article
11
Theoretical investigation of the mechanism for the cycloaddition of CO<sub>2</sub> to epoxides catalyzed by a magnesium(II) porphyrin complex.
- Published in:
- Journal of Molecular Modeling, 2015, v. 21, n. 7, p. 1, doi. 10.1007/s00894-015-2733-y
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- Publication type:
- Article
12
Quantum dynamics study of H + DBr and D + HBr reaction.
- Published in:
- Journal of Molecular Modeling, 2014, v. 20, n. 9, p. 1, doi. 10.1007/s00894-014-2367-5
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- Publication type:
- Article
13
Density functional studies of the stepwise substitution of pyridine, pyridazine, pyrimidine, pyrazine, and 1,3,5-triazine with BCO.
- Published in:
- Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2079-x
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- Publication type:
- Article
14
Structures and stabilities of ScB ( n = 1-12) clusters: an ab initio investigation.
- Published in:
- Journal of Molecular Modeling, 2013, v. 19, n. 8, p. 3255, doi. 10.1007/s00894-013-1860-6
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- Publication type:
- Article
15
Density functional studies of the stepwise substitution of pyrrole, furan, and thiophene with BCO.
- Published in:
- Journal of Molecular Modeling, 2013, v. 19, n. 6, p. 2309, doi. 10.1007/s00894-013-1766-3
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- Publication type:
- Article
16
Computational studies on polynitropurines as potential high energy density materials.
- Published in:
- Journal of Molecular Modeling, 2013, v. 19, n. 6, p. 2235, doi. 10.1007/s00894-013-1764-5
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- Publication type:
- Article
17
Theoretical investigation on detonation performances and thermodynamic stabilities of the prismane derivatives.
- Published in:
- Journal of Molecular Modeling, 2013, v. 19, n. 3, p. 1049, doi. 10.1007/s00894-012-1648-0
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- Publication type:
- Article
18
Looking for high energy density compounds among polynitraminecubanes.
- Published in:
- Journal of Molecular Modeling, 2013, v. 19, n. 2, p. 571, doi. 10.1007/s00894-012-1582-1
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- Publication type:
- Article
19
Tuning electronic structure and photophysical properties of [Ir(ppy)(py)] by substituents binding in pyridyl ligand: a computational study.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 10, p. 4615, doi. 10.1007/s00894-012-1462-8
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- Publication type:
- Article
20
Density functional study on the derivatives of purine.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 8, p. 3501, doi. 10.1007/s00894-012-1359-6
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- Publication type:
- Article
21
Density functional calculations for a high energy density compound of formula CH(NO).
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 8, p. 3695, doi. 10.1007/s00894-012-1367-6
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- Publication type:
- Article
22
Effects of the atomic number of alkali atom and pore size of graphyne on the second‐order nonlinear optical response of superalkali salts of graphynes OM<sub>3</sub><sup>+</sup>@GYs<sup>−</sup> (M = Li, Na, and K).
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 4, p. 1, doi. 10.1002/qua.26477
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- Publication type:
- Article
23
Investigation on the electronic structures and nonlinear optical properties of alkali metal atom doped all‐cis 1,2,3,4,5,6‐hexafluorocyclohexane.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 15, p. 1, doi. 10.1002/qua.25619
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- Publication type:
- Article
24
Ordered Morphologies on the Binary Blend of Diblock Copolymers Film Induced by Nanoparticles.
- Published in:
- NANO (1793-2920), 2016, v. 11, n. 1, p. -1, doi. 10.1142/S1793292016500089
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- Publication type:
- Article
25
The valence and Rydberg excited states of CH<sub>2</sub>: A theoretical exploration.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 31, p. 2498, doi. 10.1002/jcc.23075
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- Publication type:
- Article
26
Theoretical calculation about the valence and rydberg excited states of hydrogen cyanide.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 5, p. 484, doi. 10.1002/jcc.21991
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- Publication type:
- Article
27
Strain-Free [ N]Ferrocenylenes and Cyclo[10]ferrocenylene.
- Published in:
- ChemPhysChem, 2013, v. 14, n. 17, p. 3902, doi. 10.1002/cphc.201300706
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- Publication type:
- Article
28
Structures and aromaticity of Cationic closo- (n = 5−12)
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 8, p. 927, doi. 10.1007/s00894-007-0210-y
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- Publication type:
- Article
29
Influence of secondary decay on chemical freeze-out temperature isospin effect measurement.
- Published in:
- European Physical Journal A -- Hadrons & Nuclei, 2021, v. 57, n. 2, p. 1, doi. 10.1140/epja/s10050-021-00366-2
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- Publication type:
- Article
30
Site difference influence of anchored Ru in mesoporous carbon on electrocatalytic performance toward pH-universal hydrogen evolution reaction.
- Published in:
- Rare Metals, 2023, v. 42, n. 12, p. 4015, doi. 10.1007/s12598-023-02389-8
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- Publication type:
- Article
31
MoO<sub>3</sub>/C-supported Pd nanoparticles as an efficient bifunctional electrocatalyst for ethanol oxidation and oxygen reduction reactions.
- Published in:
- Rare Metals, 2023, v. 42, n. 5, p. 1516, doi. 10.1007/s12598-022-02211-x
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- Publication type:
- Article
32
DFT/TDDFT studies of the ancillary ligand effects on structures and photophysical properties of rhenium (I) tricarbonyl complexes with the imidazo[4,5-f]-1,10-phenanthroline ligand.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 20, p. 1467, doi. 10.1002/qua.24951
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- Publication type:
- Article
33
Computational studies on the injection, transport, absorption, and phosphoresce properties of a series of cationic iridium (III) complexes [Ir(C∧N)<sub>2</sub>(L)<sub>2</sub>]<sup>+</sup> (C∧N = ppy, tpy, dfppy, bzq).
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 7, p. 1010, doi. 10.1002/qua.24104
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- Publication type:
- Article
34
Retraction: Ab Initio investigation of structures and stability of Ga<sub> n</sub>P<sub> m</sub> ( n = 1-3, m = 1-4) clusters.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 4, p. 1233, doi. 10.1002/qua.24016
- By:
- Publication type:
- Article
35
Density functional study of structural and electronic properties of Al<sub>n</sub>N (1 ≤ n ≤ 12) clusters.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 5, p. 1250, doi. 10.1002/qua.20870
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- Publication type:
- Article
36
First-principles investigation of structure and stability of Al<sub>n</sub>N<sub>m</sub> clusters.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 3, p. 291, doi. 10.1002/qua.20489
- By:
- Publication type:
- Article
37
First Principles Study of the Structure, Electronic State, and Stability of CmN<sub>2</sub> Clusters.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 97, n. 4, p. 876, doi. 10.1002/qua.10795
- By:
- Publication type:
- Article
38
Theoretical investigation of different functional groups effect on the photophysical performance of tricarbonylrhenium(I) complexes with tetrathiafulvalene derivative as dyes in dye-sensitized solar cell.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 5, p. 1, doi. 10.1007/s00214-015-1665-z
- By:
- Publication type:
- Article
39
Theoretical studies of COOH group effect on the performance of rhenium (I) tricarbonyl complexes with bispyridine sulfur-rich core ligand as dyes in DSSC.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 9, p. 1, doi. 10.1007/s00214-012-1266-z
- By:
- Publication type:
- Article