Electronic Structure Lab

110. J.C. Marcum, A.I. Krylov, and J.M. Weber
Spectroscopy and fragmentation of under-coordinated bromoiridates
J. Phys. Chem. A 115, 13482–13488 (2011) Abstract  PDF Supporting info

109. D. Zuev, K.B. Bravaya, M. Makarova, and A.I. Krylov
Effect of microhydration on the electronic structure of the chromophores of the photoactive yellow and green fluorescent proteins
J. Chem. Phys. 135, 194304 (2011) Abstract  PDF Supporting info

108. K.M. Solntsev, D. Ghosh, O. Amador, M. Josowics, and A.I. Krylov
Characterization of the redox properties of model green fluorescence protein chromophores
J. Phys. Chem. Lett. 2, 2593 – 2597 (2011) Abstract  PDF 

107. T. Kus and A. I. Krylov
Using the charge stabilization technique in the double ionization potential equation-of-motion calculations with dianion references
J. Chem. Phys. 135, 084109 (2011) Abstract  PDF Supporting info

106. K.B. Bravaya, M. Khrenova, B. Grigorenko, A.V. Nemukhin, and A.I. Krylov
The effect of protein environment on electronically excited and ionized states of the green fluorescent protein chromophore
J. Phys. Chem. B 8, 8296 – 8303 (2011) Abstract  PDF Supporting info

105. E. Kamarchik and A.I. Krylov
Non-Condon effects in one- and two-photon absorption spectra of the green fluorescent protein
J. Chem. Phys. Lett. 2, 488 – 492 (2011) Abstract  PDF Supporting info

104. K. Khistyaev, K.B. Bravaya, E. Kamarchik, O. Kostko, M. Ahmed, and A.I. Krylov
The effect of microhydration on ionization energies of thymine
Faraday Disc. 150, 313 – 330 (2011) Abstract  PDF 

103. D. Ghosh, O. Isayev, L.V. Slipchenko, and A.I. Krylov
The effect of solvation on vertical ionization energy of thymine: From microhydration to bulk
J. Phys. Chem. A 115, 6028 – 6038 (2011) Abstract  PDF Supporting info

102. D. Zuev, K.B. Bravaya, T.D. Crawford, R. Lindh, and A.I. Krylov
Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore
J. Chem. Phys. 134, 034310 (2011) Abstract  PDF Supporting info