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Journal of Computational Chemistry
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June 16, 2005
Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes
Zexing Cao, Qianer Zhang
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 14, 2004
Effects of chain length and Au spin-orbit coupling on 3(pi pi*) emission from bridging Cn2- units: theoretical characterization of spin-forbidden radiative transitions in metal-capped one-dimensional carbon chains [H3PAu(C[triple bond]C)nAuPH3]
Zexing Cao, Qianer Zhang
Organic Letters
|
September 12, 2003
Sidewall epoxidation of single-walled carbon nanotubes: a theoretical prediction
Xin Lu, Qinghong Yuan, Qianer Zhang
The Journal of Chemical Physics
|
September 16, 2005
Theoretical study of photoinduced singlet and triplet excited states of 4-dimethylaminobenzonitrile and its derivatives
Xuefei Xu, Zexing Cao, Qianer Zhang
The Journal of Physical Chemistry. A
|
February 3, 2006
Computational characterization of low-lying states and intramolecular charge transfers in N-phenylpyrrole and the planar-rigidized fluorazene
Xuefei Xu, Zexing Cao, Qianer Zhang
The Journal of Physical Chemistry. A
|
June 15, 2007
What definitively controls the photochemical activity of methylbenzonitriles and methylanisoles? Insights from theory
Xuefei Xu, Zexing Cao, Qianer Zhang
Journal of Nanoscience and Nanotechnology
|
April 25, 2007
Structures and electronic properties of M2C2 @ C78 (M = Ti, Zr, Hf): a density functional theory study
Xin Wu, Xin Lu, Kai Tan, et al.
The Journal of Organic Chemistry
|
January 19, 2002
A DFT study of the 1,3-dipolar cycloadditions on the C(100)-2 x 1 surface
Xin Lu, Xin Xu, Nanqin Wang, et al.
Organic Letters
|
November 22, 2002
Organic functionalization of the sidewalls of carbon nanotubes by diels-alder reactions: a theoretical prediction
Xin Lu, Feng Tian, Nanqin Wang, et al.
The Journal of Organic Chemistry
|
May 24, 2003
Hydroboration of C(100) surface, fullerene, and the sidewalls of single-wall carbon nanotubes with borane
Lasheng Long, Xin Lu, Feng Tian, et al.
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Search research articles
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Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
June 16, 2005
Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes
Zexing Cao, Qianer Zhang
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 14, 2004
Effects of chain length and Au spin-orbit coupling on 3(pi pi*) emission from bridging Cn2- units: theoretical characterization of spin-forbidden radiative transitions in metal-capped one-dimensional carbon chains [H3PAu(C[triple bond]C)nAuPH3]
Zexing Cao, Qianer Zhang
Organic Letters
|
September 12, 2003
Sidewall epoxidation of single-walled carbon nanotubes: a theoretical prediction
Xin Lu, Qinghong Yuan, Qianer Zhang
The Journal of Chemical Physics
|
September 16, 2005
Theoretical study of photoinduced singlet and triplet excited states of 4-dimethylaminobenzonitrile and its derivatives
Xuefei Xu, Zexing Cao, Qianer Zhang
The Journal of Physical Chemistry. A
|
February 3, 2006
Computational characterization of low-lying states and intramolecular charge transfers in N-phenylpyrrole and the planar-rigidized fluorazene
Xuefei Xu, Zexing Cao, Qianer Zhang
The Journal of Physical Chemistry. A
|
June 15, 2007
What definitively controls the photochemical activity of methylbenzonitriles and methylanisoles? Insights from theory
Xuefei Xu, Zexing Cao, Qianer Zhang
Journal of Nanoscience and Nanotechnology
|
April 25, 2007
Structures and electronic properties of M2C2 @ C78 (M = Ti, Zr, Hf): a density functional theory study
Xin Wu, Xin Lu, Kai Tan, et al.
The Journal of Organic Chemistry
|
January 19, 2002
A DFT study of the 1,3-dipolar cycloadditions on the C(100)-2 x 1 surface
Xin Lu, Xin Xu, Nanqin Wang, et al.
Organic Letters
|
November 22, 2002
Organic functionalization of the sidewalls of carbon nanotubes by diels-alder reactions: a theoretical prediction
Xin Lu, Feng Tian, Nanqin Wang, et al.
The Journal of Organic Chemistry
|
May 24, 2003
Hydroboration of C(100) surface, fullerene, and the sidewalls of single-wall carbon nanotubes with borane
Lasheng Long, Xin Lu, Feng Tian, et al.
Page
of 3