Top Curr Chem (Z) (2018) 376:24
1 3
110. Pecourt JML, Peon J, Kohler B (2001) DNA excited-state dynamics: ultrafast internal conversion
and vibrational cooling in a series of nucleosides. J Am Chem Soc 123(42):10370–10378
111. Peon J, Zewail AH (2001) DNA/RNA nucleotides and nucleosides: Direct measurement of excitedstate lifetimes by femtosecond fluorescence up-conversion. Chem Phys Lett 348(3–4):255–262
112. Onidas D, Markovitsi D, Marguet S, Sharonov A, Gustavsson T (2002) Fluorescence properties
of DNA nucleosides and nucleotides: a refined steady-state and femtosecond investigation. J Phys
Chem B 106(43):11367–11374
113. Hare PM, Crespo-Hernández CE, Kohler B (2007) Internal conversion to the electronic ground
state occurs via two distinct pathways for pyrimidine bases in aqueous solution. Proc Natl Acad Sci
104:435–440
114. Pepino AJ, Segarra-Martí J, Nenov A, Improta R, Garavelli M (2017) Resolving ultrafast photoinduced deactivations in water-solvated pyrimidine nucleosides. J Phys Chem Lett 8(8):1777–1783
115. Segarra-Marti J, Garavelli M, Aquilante F (2015) Multiconfigurational second-order perturbation
theory with frozen natural orbitals extended to the treatment of photochemical problems. J Chem
Theory Comput 11(8):3772–3784
116. Vogiatzis KD, Li Manni G, Stoneburner SJ, Ma D, Gagliardi L (2015) Systematic expansion of
active spaces beyond the casscf limit: a gasscf/splitgas benchmark study. J Chem Theory Comput
11(7):3010–3021
117. Li Manni G, Carlson RK, Luo S, Ma D, Olsen J, Truhlar DG, Gagliardi L (2014) Multiconfiguration pair-density functional theory. J Chem Theory Comput 10(9):3669–3680
118. Casida ME, Huix-Rotllant M (2012) Progress in time-dependent density-functional theory. Annu
Rev Phys Chem 63:287–323
119. Dreuw A, Wormit M (2015) The algebraic diagrammatic construction scheme for the polarization
propagator for the calculation of excited states. Wiley Interdiscip Rev 5(1):82–95
120. Sneskov K, Christiansen O (2012) Excited state coupled cluster methods. Wiley Interdiscip Rev
2(4):566–584
121. Chan GK-L, Sharma S (2011) The density matrix renormalization group in quantum chemistry.
Annu Rev Phys Chem 62(1):465–481
122. Thomas RE, Sun Q, Alavi A, Booth GH (2015) Stochastic multiconfigurational self-consistent
field theory. J Chem Theory Comput 11(11):5316–5325
123. Segarra-Martí J, Zvereva E, Marazzi M, Brazard J, Dumont E, Assfeld X, Haacke S, Garavelli M, Monari A, Léonard J, Rivalta I (2018) Resolving the singlet excited state manifold of
benzophenone by first-principles simulations and ultrafast spectroscopy. J Chem Theory
Comput 14(5):2570–2585
124. Li BL, Johnson AE, Mukamel S, Myers AB (1994) The Brownian oscillator model for solvation
effects in spontaneous light-emission and their relationship to electron-transfer. J Am Chem Soc
116(24):11039–11047
112
Reprinted from the journal
1 3
110. Pecourt JML, Peon J, Kohler B (2001) DNA excited-state dynamics: ultrafast internal conversion
and vibrational cooling in a series of nucleosides. J Am Chem Soc 123(42):10370–10378
111. Peon J, Zewail AH (2001) DNA/RNA nucleotides and nucleosides: Direct measurement of excitedstate lifetimes by femtosecond fluorescence up-conversion. Chem Phys Lett 348(3–4):255–262
112. Onidas D, Markovitsi D, Marguet S, Sharonov A, Gustavsson T (2002) Fluorescence properties
of DNA nucleosides and nucleotides: a refined steady-state and femtosecond investigation. J Phys
Chem B 106(43):11367–11374
113. Hare PM, Crespo-Hernández CE, Kohler B (2007) Internal conversion to the electronic ground
state occurs via two distinct pathways for pyrimidine bases in aqueous solution. Proc Natl Acad Sci
104:435–440
114. Pepino AJ, Segarra-Martí J, Nenov A, Improta R, Garavelli M (2017) Resolving ultrafast photoinduced deactivations in water-solvated pyrimidine nucleosides. J Phys Chem Lett 8(8):1777–1783
115. Segarra-Marti J, Garavelli M, Aquilante F (2015) Multiconfigurational second-order perturbation
theory with frozen natural orbitals extended to the treatment of photochemical problems. J Chem
Theory Comput 11(8):3772–3784
116. Vogiatzis KD, Li Manni G, Stoneburner SJ, Ma D, Gagliardi L (2015) Systematic expansion of
active spaces beyond the casscf limit: a gasscf/splitgas benchmark study. J Chem Theory Comput
11(7):3010–3021
117. Li Manni G, Carlson RK, Luo S, Ma D, Olsen J, Truhlar DG, Gagliardi L (2014) Multiconfiguration pair-density functional theory. J Chem Theory Comput 10(9):3669–3680
118. Casida ME, Huix-Rotllant M (2012) Progress in time-dependent density-functional theory. Annu
Rev Phys Chem 63:287–323
119. Dreuw A, Wormit M (2015) The algebraic diagrammatic construction scheme for the polarization
propagator for the calculation of excited states. Wiley Interdiscip Rev 5(1):82–95
120. Sneskov K, Christiansen O (2012) Excited state coupled cluster methods. Wiley Interdiscip Rev
2(4):566–584
121. Chan GK-L, Sharma S (2011) The density matrix renormalization group in quantum chemistry.
Annu Rev Phys Chem 62(1):465–481
122. Thomas RE, Sun Q, Alavi A, Booth GH (2015) Stochastic multiconfigurational self-consistent
field theory. J Chem Theory Comput 11(11):5316–5325
123. Segarra-Martí J, Zvereva E, Marazzi M, Brazard J, Dumont E, Assfeld X, Haacke S, Garavelli M, Monari A, Léonard J, Rivalta I (2018) Resolving the singlet excited state manifold of
benzophenone by first-principles simulations and ultrafast spectroscopy. J Chem Theory
Comput 14(5):2570–2585
124. Li BL, Johnson AE, Mukamel S, Myers AB (1994) The Brownian oscillator model for solvation
effects in spontaneous light-emission and their relationship to electron-transfer. J Am Chem Soc
116(24):11039–11047
112
Reprinted from the journal