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Journal of Computational Chemistry
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April 13, 2012
DCMB that combines divide-and-conquer and mixed-basis set methods for accurate geometry optimizations, total energies, and vibrational frequencies of large molecules
Anan Wu, Xin Xu
Journal of the American Chemical Society
|
August 2, 2003
The role of the HOOO(-) anion in the ozonation of alcohols: large differences in the gas-phase and in the solution-phase mechanism
Anan Wu, Dieter Cremer, Bozo Plesnicar
The Journal of Physical Chemistry. A
|
August 19, 2007
Geometric dependence of the B3LYP-predicted magnetic shieldings and chemical shifts
Ying Zhang, Anan Wu, Xin Xu, et al.
ACS Omega
|
October 6, 2025
Non-IPR Fullertube Series C<sub>10+10+6<i>n</i></sub> : A Theoretical Prediction
Kexin Ma, Kai Tan, Anan Wu, et al.
Journal of Computational Chemistry
|
August 28, 2007
Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: the density functional models
Anan Wu, Ying Zhang, Xin Xu, et al.
Journal of Computational Chemistry
|
November 11, 2025
The Sequential C<sub>2</sub> Addition Formation Mechanism of [6,6] Fullertube C<sub>36+36+12</sub> <sub>n</sub> Series: A Theoretical Study
Kexin Ma, Kai Tan, Anan Wu, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 8, 2004
Can one assess the pi character of a C-C bond with the help of the NMR spin-spin coupling constants?
Dieter Cremer, Elfi Kraka, Anan Wu, et al.
Journal of the American Chemical Society
|
April 22, 2004
Investigation of the NMR spin-spin coupling constants across the hydrogen bonds in ubiquitin: the nature of the hydrogen bond as reflected by the coupling mechanism
Tell Tuttle, Elfi Kraka, Anan Wu, et al.
Journal of Computational Chemistry
|
December 31, 2013
Perturbative treatment of anharmonic vibrational effects on bond distances: an extended Langevin dynamics method
Tonghao Shen, Neil Qiang Su, Anan Wu, et al.
The Journal of Chemical Physics
|
April 6, 2013
Accurate prediction of nuclear magnetic resonance shielding constants: towards the accuracy of CCSD(T) complete basis set limit
Meng Sun, Igor Ying Zhang, Anan Wu, et al.
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Search research articles
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Showing results (1-10 of 38) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
April 13, 2012
DCMB that combines divide-and-conquer and mixed-basis set methods for accurate geometry optimizations, total energies, and vibrational frequencies of large molecules
Anan Wu, Xin Xu
Journal of the American Chemical Society
|
August 2, 2003
The role of the HOOO(-) anion in the ozonation of alcohols: large differences in the gas-phase and in the solution-phase mechanism
Anan Wu, Dieter Cremer, Bozo Plesnicar
The Journal of Physical Chemistry. A
|
August 19, 2007
Geometric dependence of the B3LYP-predicted magnetic shieldings and chemical shifts
Ying Zhang, Anan Wu, Xin Xu, et al.
ACS Omega
|
October 6, 2025
Non-IPR Fullertube Series C<sub>10+10+6<i>n</i></sub> : A Theoretical Prediction
Kexin Ma, Kai Tan, Anan Wu, et al.
Journal of Computational Chemistry
|
August 28, 2007
Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: the density functional models
Anan Wu, Ying Zhang, Xin Xu, et al.
Journal of Computational Chemistry
|
November 11, 2025
The Sequential C<sub>2</sub> Addition Formation Mechanism of [6,6] Fullertube C<sub>36+36+12</sub> <sub>n</sub> Series: A Theoretical Study
Kexin Ma, Kai Tan, Anan Wu, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 8, 2004
Can one assess the pi character of a C-C bond with the help of the NMR spin-spin coupling constants?
Dieter Cremer, Elfi Kraka, Anan Wu, et al.
Journal of the American Chemical Society
|
April 22, 2004
Investigation of the NMR spin-spin coupling constants across the hydrogen bonds in ubiquitin: the nature of the hydrogen bond as reflected by the coupling mechanism
Tell Tuttle, Elfi Kraka, Anan Wu, et al.
Journal of Computational Chemistry
|
December 31, 2013
Perturbative treatment of anharmonic vibrational effects on bond distances: an extended Langevin dynamics method
Tonghao Shen, Neil Qiang Su, Anan Wu, et al.
The Journal of Chemical Physics
|
April 6, 2013
Accurate prediction of nuclear magnetic resonance shielding constants: towards the accuracy of CCSD(T) complete basis set limit
Meng Sun, Igor Ying Zhang, Anan Wu, et al.
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of 4