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- Recent Advances in
Orbital-Free Density Functional Theory, edited by T. A. Wesołowski
and Y. A. Wang (World Scientific, Singapore, 2011).
- "Preface," T. A. Wesołowski
and Y. A. Wang,
in Recent Advances in Orbital-Free Density Functional Theory,
edited by T. A. Wesołowski and Y. A. Wang (World Scientific, Singapore, 2011).[PDF]
- "From
the Hohenberg-Kohn Theory to the Kohn-Sham Equations,"
Y. A. Wang and P. Xiang,
in Recent Advances in Orbital-Free Density Functional Theory,
edited by T. A. Wesołowski and Y. A. Wang (World Scientific, Singapore, 2011).[PDF]
- "Defected and Substitutionally Doped Nanotubes: Applications
in Biosystems, Sensors, Nanoelectronics, and Catalysis," C. S.
Yeung, Y. K. Chen, and Y. A. Wang, in
Carbon Nanotubes - Growth and Applications, edited by M.
Naraghi (InTech,
Rijeka, Croatia,
2011),
Chap. 5, pp. 97-132.[PDF]
- "First-Principles Computational Studies of the Torsional
Potential Energy Surface of the sec-Butyl Radical," Y. K. Chen
and Y. A. Wang,
Can. J. Chem. 89, 1469-1476 (2011).[PDF]
- "Theoretical Studies of of Aum and PtAun
Clusters and Their N2 and O2 Adsorption
Complexes," Y. K. Chen, W. Q. Tian, and Y. A. Wang,
Int. J. Quantum Chem. 112, 65-77 (2011).[PDF]
- "LISTb:
a Better Direct Approach to LIST," Y. K. Chen and Y.
A. Wang,
J. Chem. Theory Comput. 7, 3045-3048 (2011).[PDF] (Letter)
- "Linear-Expansion Shooting Techniques for Accelerating
Self-Consistent Field Convergence," Y. A. Wang, C. Y. Yam, Y. K.
Chen, and G. H. Chen, J. Chem. Phys. 134, 241103 (1-4)
(2011). (Communication) [PDF]
Top 11 Most
Downloaded Article in JCP in July 2011 (http://jcp.aip.org/features/most_downloaded?month=7&year=2011)
- "Theoretical Studies of Transition-Metal-Doped Single-Walled
Carbon Nanotubes," Y. K. Chen, L. V. Liu, W. Q. Tian, and Y. A.
Wang, J. Phys. Chem. C 115, 9306-9311 (2011).[PDF]
- "Lewis Acidity of Pt-Doped Buckybowls, Fullerenes, and
Single-Walled Carbon Nanotubes," C. S. Yeung and Y. A. Wang, J.
Phys. Chem. C 115, 7153-7163 (2011).[PDF]
- "Isotope Effects and the Temperature Dependences of the
Hyperfine Coupling Constants of Muoniated sec-Butyl
Radicals in Condensed Phases," D. G. Flemming, M. D. Bridges, D.
J. Arseneau, Y. K. Chen, and Y. A. Wang, J. Phys. Chem. A 115,
2778-2793 (2011).[PDF]
- "Theoretical Calculations of Hyperfine Coupling Constants
for Muoniated Butyl Radicals," Y. K. Chen, D. G. Flemming, and
Y. A. Wang, J. Phys. Chem. A 115, 2765-2777 (2011).[PDF]
- "Theoretical Studies of Substitutionally Doped Single-Walled
Nanotubes," C. S. Yeung, Y. K. Chen, and Y. A. Wang, J.
Nanotechnol. 2010, Article ID 801789,
doi:10.1155/2010/801789 (2010). (Review) [PDF]
- "Density Functional Study of Interaction of Atomic Pt with
Pristine and Stone-Wales-Defected Single-Walled Boron Nitride
Nanotubes," Y. K. Chen, L. V. Liu, and Y. A. Wang, J. Phys.
Chem. C 114, 12382-12388 (2010).[PDF]
- "Vibrational Assignment and Proton Tunneling in Pyridine-Pyridinium
Complexes," S. F. Tayyari, S. J. Mahdizadeh, S. Holakoei, and Y.
A. Wang, J. Mol. Struct. 971, 39-46 (2010).[PDF]
- "The Nature of Intramolecular Hydrogen Bond in
2-Nitromalonaldehyde," S. F. Tayyari, M. Zahedi-Tabrizi, H.
Azizi-Toopkanloo, S. S. Hepperle, and Y. A. Wang, Chem. Phys.
368, 62-65 (2010).[PDF]
- "Theoretical Studies on Structures, 13C NMR
Chemical Shifts, Aromaticity, and Chemical Reactivity of
Finite-Length Open-Ended Armchair Single-Walled Carbon Nanotubes,"
L. V. Liu, W. Q. Tian, Y. K. Chen, Y. A. Zhang, and Y. A. Wang,
Nanoscale 2, 254-261 (2010).[PDF]
- "Electronic
Structure and Reactivities of Perfect, Defected, and Doped
Single-Walled Carbon Nanotubes",
W. Q. Tian, L. V. Liu, Y. K. Chen, and Y. A. Wang,
in Trends in Computational
Nanomechanics: Transcending Length and Time Scales,
edited by T. Dumitrica (Springer, Dordrecht, 2010), Chap.
16, p. 421-471.[PDF]
-
Special Issue: Proceedings from the Sixth
Congress of the International Society for Theoretical Chemical
Physics (ISTCP-VI),
Int. J. Quantum Chem. 109, No. 14, edited by Y. A. Wang,
E. J. Brändas, and J. Maruani, p. 3143-3504 (Wiley, USA,
2009).
-
"Preface," Y. A. Wang, E. J. Brändas, and J.
Maruani, in Special Issue: Proceedings from the Sixth
Congress of the International Society for Theoretical Chemical
Physics (ISTCP-VI), Int. J. Quantum Chem. 109, No.
14, edited by Y. A. Wang, E. J. Brändas, and J. Maruani, p.
3143-3144 (Wiley, USA,
2009).[PDF]
-
"Are the Unconventional Density Variations Really
Unconventional?" Y. A. Zhang and Y. A. Wang, Int. J. Quantum
Chem. 109, 3199-3216 (2009).[PDF]
- "Ab Initio Studies of
the Vacancy Defected Fullerenes and Single-Walled Carbon
Nanotubes," L. V. Liu, W. Q. Tian, and Y. A. Wang, Int. J.
Quantum Chem. 109, 3441-3456 (2009).[PDF]
-
"Perturbative Total Energy Evaluation in
Self-Consistent Field Iterations: Tests on Molecular Systems,"
Y. A. Zhang and Y. A. Wang, J. Chem. Phys. 130, 144116
(1-8) (2009).[PDF]
-
"Chemistry of Single-Walled Carbon Nanotubes," C.
S. Yeung, W. Q. Tian, L. V. Liu, and Y. A. Wang, J. Comput.
Theor. Nanosci. 6, 1213-1235 (2009). (Feature Review
Article) [PDF]
-
"A Brief Computational Study of
Decamethyldizincocene Formation via Decamethylzincocene and
Diethylzinc," S. S. Hepperle and Y. A. Wang, J. Phys. Chem. A
112,
9619-9622 (2008). (Letter) [PDF]
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