41 Publications (Page 2 of 2)
2012
Formyloxyl radical-gold nanoparticle binding: a theoretical study.
Hull, Jacob M⋅Provorse, Makenzie R and Aikens, Christine M
The journal of physical chemistry. A, vol. 116, (no. 22), pp. 5445-5452, June 7, 2012. | Journal Article
 
TDDFT and CIS studies of optical properties of dimers of silver tetrahedra.
Bae, Gyun-Tack and Aikens, Christine M
The journal of physical chemistry. A, vol. 116, (no. 31), pp. 8260-8269, August 9, 2012. | Journal Article
 
The golden pathway to thiolate-stabilized nanoparticles: following the formation of gold(I) thiolate from gold(III) chloride.
Barngrover, Brian M and Aikens, Christine M
Journal of the American Chemical Society, vol. 134, (no. 30), pp. 12590-12595, August 1, 2012. | Journal Article
 
Theoretical analysis of the optical excitation spectra of silver and gold nanowires.
Guidez, Emilie B and Aikens, Christine
Nanoscale, vol. 4, (no. 14), pp. 4190-8, 2012/Jul/21. | Journal Article
 
Theoretical investigation of the electrochemical mechanism of water splitting on a titanium oxide cluster model.
Pandey, Lila B and Aikens, Christine M
The journal of physical chemistry. A, vol. 116, (no. 1), pp. 526-535, January 12, 2012. | Journal Article
2011
Incremental binding energies of gold(I) and silver(I) thiolate clusters.
Barngrover, Brian M and Aikens, Christine M
The journal of physical chemistry. A, vol. 115, (no. 42), pp. 11818-11823, October 27, 2011. | Journal Article
2010
Chirality and electronic structure of the thiolate-protected Au38 nanocluster.
Lopez-Acevedo, Olga⋅Tsunoyama, Hironori⋅Tsukuda, Tatsuya⋅Häkkinen, Hannu and Aikens, Christine M
Journal of the American Chemical Society, vol. 132, (no. 23), pp. 8210-8218, June 16, 2010. | Journal Article
 
TDDFT investigation of surface-enhanced Raman scattering of HCN and CN(-) on Ag(20).
Brewer, Kathryn E and Aikens, Christine M
The journal of physical chemistry. A, vol. 114, (no. 33), pp. 8858-8863, August 26, 2010. | Journal Article
2009
Electronic structure and TDDFT optical absorption spectra of silver nanorods.
Johnson, Hannah E and Aikens, Christine
The journal of physical chemistry. A, vol. 113, (no. 16), pp. 4445-50, 2009/Apr/23. | Journal Article
 
Reversible switching of magnetism in thiolate-protected Au25 superatoms.
Zhu, Manzhou⋅Aikens, Christine⋅Hendrich, Michael P⋅Gupta, Rupal⋅Qian, Huifeng⋅Schatz, George C and Jin, Rongchao
Journal of the American Chemical Society, vol. 131, (no. 7), pp. 2490-2, 2009/Feb/25. | Journal Article
2008
Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties.
Zhu, Manzhou⋅Aikens, Christine⋅Hollander, Frederick J⋅Schatz, George C and Jin, Rongchao
Journal of the American Chemical Society, vol. 130, (no. 18), pp. 5883-5, 2008/May/7. | Journal Article
2006
Hiking the valleys of quantum chemistry.
Aikens, Christine
STAR, vol. 44, (no. 25), 2006. | Journal Article
 
Incremental solvation of nonionized and zwitterionic glycine.
Aikens, Christine and Gordon, Mark S
Journal of the American Chemical Society, vol. 128, (no. 39), pp. 12835-50, 2006/Oct/4. | Journal Article
 
Scalable implementation of analytic gradients for second-order Z-averaged perturbation theory using the distributed data interface.
Aikens, Christine⋅Fletcher, Graham D⋅Schmidt, Michael W and Gordon, Mark S
The Journal of chemical physics, vol. 124, (no. 1), pp. 14107, 2006/Jan/7. | Journal Article
2005
Hiking the valleys of quantum chemistry (Dissertation)
Aikens, Christine (2005).
 
Influence of multi-atom bridging ligands on the electronic structure and magnetic properties of homodinuclear titanium molecules.
Aikens, Christine and Gordon, Mark S
The journal of physical chemistry. A, vol. 109, (no. 51), pp. 11885-901, 2005/Dec/29. | Journal Article