journal article Oct 31, 2013

The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems

View at Publisher Save 10.1021/ct400641n
Topics

No keywords indexed for this article. Browse by subject →

References
152
[1]
Akimov A. V. Chem. Rev. (2013) 10.1021/cr3004899
[2]
Walter M. G. Chem. Rev. (2010) 10.1021/cr1002326
[3]
Kubacka A. Chem. Rev. (2012) 10.1021/cr100454n
[4]
Ardo S. Chem. Soc. Rev. (2009) 10.1039/b804321n
[5]
Anderson N. A. Annu. Rev. Phys. Chem. (2005) 10.1146/annurev.physchem.55.091602.094347
[6]
Coropceanu V. Chem. Rev. (2007) 10.1021/cr050140x
[7]
Hammes-Schiffer S. Chem. Rev. (2010) 10.1021/cr1001436
[8]
Inoue Y. Energy Environ. Sci. (2009) 10.1039/b816677n
[9]
Kamat P. V. J. Phys. Chem. Lett. (2012) 10.1021/jz201629p
[10]
Heterogeneous photocatalyst materials for water splitting

Akihiko Kudo, Yugo Miseki

Chemical Society Reviews 2009 10.1039/b800489g
[11]
Martsinovich N. Energy Environ. Sci. (2011) 10.1039/c1ee01906f
[12]
Matsuoka M. J. Photochem. Photobiol., C (2003) 10.1016/s1389-5567(02)00040-0
[13]
Rühle S. ChemPhysChem (2010) 10.1002/cphc.201000069
[14]
Duncan W. R. Annu. Rev. Phys. Chem. (2007) 10.1146/annurev.physchem.58.052306.144054
[15]
Duncan W. R. J. Am. Chem. Soc. (2007) 10.1021/ja0707198
[16]
Abuabara S. G. J. Am. Chem. Soc. (2005) 10.1021/ja055185u
[17]
Jakubikova E. J. Phys. Chem. A (2009) 10.1021/jp903966n
[18]
Rego L. G. C. J. Am. Chem. Soc. (2003) 10.1021/ja0346330
[19]
Maggio E. J. Chem. Phys. (2012) 10.1063/1.4737101
[20]
Maggio E. J. Phys. Chem. C (2012) 10.1021/jp210558x
[21]
Labat F. J. Am. Chem. Soc. (2009) 10.1021/ja902833s
[22]
Labat F. Acc. Chem. Res. (2012) 10.1021/ar200327w
[23]
Kilin D. S. J. Phys. Chem. C (2009) 10.1021/jp808908x
[24]
Kilin D. S. J. Phys. Chem. C (2011) 10.1021/jp110756u
[25]
Fischer S. A. J. Phys. Chem. Lett. (2009) 10.1021/jz900097e
[26]
Isborn C. M. J. Phys. Chem. C (2008) 10.1021/jp807283j
[27]
Isborn C. M. J. Chem. Phys. (2008) 10.1063/1.3020336
[28]
Hyeon-Deuk K. Nano Lett. (2011) 10.1021/nl200651p
[29]
Hyeon-Deuk K. ACS Nano (2012) 10.1021/nn2038884
[30]
Greyson E. C. J. Phys. Chem. B (2010) 10.1021/jp907392q
[31]
Paci I. J. Am. Chem. Soc. (2006) 10.1021/ja063980h
[32]
Smith M. B. Chem. Rev. (2010) 10.1021/cr1002613
[33]
Wei H. H.-Y. Nano Lett. (2012) 10.1021/nl3012962
[34]
Madrid A. B. ACS Nano (2009) 10.1021/nn900584p
[35]
Kilina S. V. J. Phys. Chem. C (2007) 10.1021/jp0669052
[36]
Kilina S. V. ACS Nano (2009) 10.1021/nn800674n
[37]
Nelson T. J. Phys. Chem. B (2011) 10.1021/jp109522g
[38]
Wu C. Phys. Rev. Lett. (2008) 10.1103/physrevlett.100.057405
[39]
Fernandez-Alberti S. J. Phys. Chem. Lett. (2010) 10.1021/jz100794z
[40]
Fernandez-Alberti S. J. Phys. Chem. A (2009) 10.1021/jp900904q
[41]
Kuhlman T. S. Faraday Discuss. (2012) 10.1039/c2fd20055d
[42]
Fabiano E. Chem. Phys. (2008) 10.1016/j.chemphys.2008.01.044
[43]
Tao H. J. Chem. Phys. (2011) 10.1063/1.3604007
[44]
Vreven T. J. Am. Chem. Soc. (1997) 10.1021/ja9725763
[45]
Weingart O. J. Phys. Chem. A (2004) 10.1021/jp049140b
[46]
Clark J. Nat. Phys. (2012) 10.1038/nphys2210
[47]
García-Iriepa C. J. Phys. Chem. Lett. (2013) 10.1021/jz302152v
[48]
Barbatti, M.; Granucci, G.; Lischka, H.; Ruckenbauer, M.Newton-X: a package for Newtonian dynamics close to the crossing seam;www.univie.ac.at/newtonx, 2006.
[49]
Barbatti M. J. Photochem. Photobiol., A (2007) 10.1016/j.jphotochem.2006.12.008
[50]
Werner, H.J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M.; Celani, P.; Korona, T.; Lindh, R.; Mitrushenkov, A.; Rauhut, G.; Shamasundar, K. R.; Adler, T. B.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Goll, E.; Hampel, C.; Hesselmann, A.; Hetzer, G.; Hrenar, T.; Jansen, G.; Köppl, C.; Liu, Y.; Lloyd, A. W.; Mata, R. A.; May, A. J.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; O’Neill, D. P.; Palmieri, P.; Peng, D.; Pflüger, K.; Pitzer, R.; Reiher, M.; Shiozaki, T.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M.MOLPRO, version 2012.1, a package of ab initio programs;Molpro: 2012, http://www.molpro.net/.

Showing 50 of 152 references

Cited By
751
Journal of Chemical Theory and Comp...
Journal of Materials Chemistry A
WIREs Computational Molecular Scien...
Chemical Reviews
Metrics
751
Citations
152
References
Details
Published
Oct 31, 2013
Vol/Issue
9(11)
Pages
4959-4972
Cite This Article
Alexey V. Akimov, Oleg V. Prezhdo (2013). The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems. Journal of Chemical Theory and Computation, 9(11), 4959-4972. https://doi.org/10.1021/ct400641n