
 Recent Advances in
OrbitalFree 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 OrbitalFree Density Functional Theory,
edited by T. A. Wesołowski and Y. A. Wang (World Scientific, Singapore, 2011).[PDF]
 "From
the HohenbergKohn Theory to the KohnSham Equations,"
Y. A. Wang and P. Xiang,
in Recent Advances in OrbitalFree 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. 97132.[PDF]
 "FirstPrinciples Computational Studies of the Torsional
Potential Energy Surface of the secButyl Radical," Y. K. Chen
and Y. A. Wang,
Can. J. Chem. 89, 14691476 (2011).[PDF]
 "Theoretical Studies of of Au_{m} and PtAu_{n}
Clusters and Their N_{2} and O_{2} Adsorption
Complexes," Y. K. Chen, W. Q. Tian, and Y. A. Wang,
Int. J. Quantum Chem. 112, 6577 (2011).[PDF]
 "LISTb:
a Better Direct Approach to LIST," Y. K. Chen and Y.
A. Wang,
J. Chem. Theory Comput. 7, 30453048 (2011).[PDF] (Letter)
 "LinearExpansion Shooting Techniques for Accelerating
SelfConsistent Field Convergence," Y. A. Wang, C. Y. Yam, Y. K.
Chen, and G. H. Chen, J. Chem. Phys. 134, 241103 (14)
(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 TransitionMetalDoped SingleWalled
Carbon Nanotubes," Y. K. Chen, L. V. Liu, W. Q. Tian, and Y. A.
Wang, J. Phys. Chem. C 115, 93069311 (2011).[PDF]
 "Lewis Acidity of PtDoped Buckybowls, Fullerenes, and
SingleWalled Carbon Nanotubes," C. S. Yeung and Y. A. Wang, J.
Phys. Chem. C 115, 71537163 (2011).[PDF]
 "Isotope Effects and the Temperature Dependences of the
Hyperfine Coupling Constants of Muoniated secButyl
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,
27782793 (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, 27652777 (2011).[PDF]
 "Theoretical Studies of Substitutionally Doped SingleWalled
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 StoneWalesDefected SingleWalled Boron Nitride
Nanotubes," Y. K. Chen, L. V. Liu, and Y. A. Wang, J. Phys.
Chem. C 114, 1238212388 (2010).[PDF]
 "Vibrational Assignment and Proton Tunneling in PyridinePyridinium
Complexes," S. F. Tayyari, S. J. Mahdizadeh, S. Holakoei, and Y.
A. Wang, J. Mol. Struct. 971, 3946 (2010).[PDF]
 "The Nature of Intramolecular Hydrogen Bond in
2Nitromalonaldehyde," S. F. Tayyari, M. ZahediTabrizi, H.
AziziToopkanloo, S. S. Hepperle, and Y. A. Wang, Chem. Phys.
368, 6265 (2010).[PDF]
 "Theoretical Studies on Structures, ^{13}C NMR
Chemical Shifts, Aromaticity, and Chemical Reactivity of
FiniteLength OpenEnded Armchair SingleWalled Carbon Nanotubes,"
L. V. Liu, W. Q. Tian, Y. K. Chen, Y. A. Zhang, and Y. A. Wang,
Nanoscale 2, 254261 (2010).[PDF]
 "Electronic
Structure and Reactivities of Perfect, Defected, and Doped
SingleWalled 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. 421471.[PDF]

Special Issue: Proceedings from the Sixth
Congress of the International Society for Theoretical Chemical
Physics (ISTCPVI),
Int. J. Quantum Chem. 109, No. 14, edited by Y. A. Wang,
E. J. Brändas, and J. Maruani, p. 31433504 (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 (ISTCPVI), Int. J. Quantum Chem. 109, No.
14, edited by Y. A. Wang, E. J. Brändas, and J. Maruani, p.
31433144 (Wiley, USA,
2009).[PDF]

"Are the Unconventional Density Variations Really
Unconventional?" Y. A. Zhang and Y. A. Wang, Int. J. Quantum
Chem. 109, 31993216 (2009).[PDF]
 "Ab Initio Studies of
the Vacancy Defected Fullerenes and SingleWalled Carbon
Nanotubes," L. V. Liu, W. Q. Tian, and Y. A. Wang, Int. J.
Quantum Chem. 109, 34413456 (2009).[PDF]

"Perturbative Total Energy Evaluation in
SelfConsistent Field Iterations: Tests on Molecular Systems,"
Y. A. Zhang and Y. A. Wang, J. Chem. Phys. 130, 144116
(18) (2009).[PDF]

"Chemistry of SingleWalled Carbon Nanotubes," C.
S. Yeung, W. Q. Tian, L. V. Liu, and Y. A. Wang, J. Comput.
Theor. Nanosci. 6, 12131235 (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,
96199622 (2008). (Letter) [PDF]

