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Adelia Aquino
Adelia Aquino
Associate Professor of Practice at Texas Tech University, Lubbock, TX
Verified email at univie.ac.at - Homepage
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Cited by
Cited by
Year
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
M Barbatti, AJA Aquino, JJ Szymczak, D NachtigallovŠ, P Hobza, ...
Proceedings of the National Academy of Sciences 107 (50), 21453-21458, 2010
4012010
Multireference approaches for excited states of molecules
H Lischka, D Nachtigallova, AJA Aquino, PG Szalay, F Plasser, ...
Chemical reviews 118 (15), 7293-7361, 2018
2502018
The UV absorption of nucleobases: semi-classical ab initio spectra simulations
M Barbatti, AJA Aquino, H Lischka
Physical Chemistry Chemical Physics 12 (19), 4959-4967, 2010
2412010
Excited-state intramolecular proton transfer: a survey of TDDFT and RI-CC2 excited-state potential energy surfaces
AJA Aquino, H Lischka, C Hšttig
The Journal of Physical Chemistry A 109 (14), 3201-3208, 2005
2032005
Solvent effects on hydrogen bonds a theoretical study
AJA Aquino, D Tunega, G Haberhauer, MH Gerzabek, H Lischka
The Journal of Physical Chemistry A 106 (9), 1862-1871, 2002
1872002
Ultrafast internal conversion pathway and mechanism in 2-(2′-hydroxyphenyl) benzothiazole: a case study for excited-state intramolecular proton transfer systems
M Barbatti, AJA Aquino, H Lischka, C Schriever, S Lochbrunner, E Riedle
Physical Chemistry Chemical Physics 11 (9), 1406-1415, 2009
1832009
Theoretical study of vibrational and optical spectra of methylene-bridged oligofluorenes
V Lukeš, A Aquino, H Lischka
The Journal of Physical Chemistry A 109 (45), 10232-10238, 2005
1272005
The nonadiabatic deactivation paths of pyrrole
M Barbatti, M Vazdar, AJA Aquino, M Eckert-Maksić, H Lischka
The Journal of chemical physics 125 (16), 164323, 2006
1152006
The interplay of skeletal deformations and ultrafast excited-state intramolecular proton transfer: Experimental and theoretical investigation of 10-hydroxybenzo [h] quinoline
C Schriever, M Barbatti, K Stock, AJA Aquino, D Tunega, S Lochbrunner, ...
Chemical Physics 347 (1-3), 446-461, 2008
1112008
Excited-state diproton transfer in [2, 2′-Bipyridyl]-3, 3′-diol: The mechanism is sequential, not Concerted
F Plasser, M Barbatti, AJA Aquino, H Lischka
The Journal of Physical Chemistry A 113 (30), 8490-8499, 2009
1092009
Nonadiabatic dynamics of uracil: population split among different decay mechanisms
D NachtigallovŠ, AJA Aquino, JJ Szymczak, M Barbatti, P Hobza, ...
The Journal of Physical Chemistry A 115 (21), 5247-5255, 2011
972011
Pathways, pathway tubes, pathway docking, and propagators in electron transfer proteins
WB Curry, MD Grabe, IV Kurnikov, SS Skourtis, DN Beratan, JJ Regan, ...
Journal of bioenergetics and biomembranes 27, 285-293, 1995
971995
Isomeric separation of permethylated glycans by porous graphitic carbon (PGC)-LC-MS/MS at high temperatures
S Zhou, Y Huang, X Dong, W Peng, L Veillon, DAS Kitagawa, AJA Aquino, ...
Analytical chemistry 89 (12), 6590-6597, 2017
922017
Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation
M Barbatti, AJA Aquino, JJ Szymczak, D Nachtigallova, H Lischka
Physical Chemistry Chemical Physics 13 (13), 6145-6155, 2011
912011
Electronically excited states and photodynamics: a continuing challenge
F Plasser, M Barbatti, AJA Aquino, H Lischka
Theoretical Chemistry Accounts 131, 1-14, 2012
892012
Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance
M Barbatti, M Ruckenbauer, JJ Szymczak, AJA Aquino, H Lischka
Physical Chemistry Chemical Physics 10 (4), 482-494, 2008
862008
The decay mechanism of photoexcited guanine− A nonadiabatic dynamics study
M Barbatti, JJ Szymczak, AJA Aquino, D NachtigallovŠ, H Lischka
The Journal of chemical physics 134 (1), 01B606, 2011
772011
The charge‐transfer states in a stacked nucleobase dimer complex: A benchmark study
AJA Aquino, D Nachtigallova, P Hobza, DG Truhlar, C Hšttig, H Lischka
Journal of computational chemistry 32 (7), 1217-1227, 2011
762011
Ultrafast two-step process in the non-adiabatic relaxation of the CH2 molecule
M Barbatti, AJA Aquino, H Lischka
Molecular Physics 104 (5-7), 1053-1060, 2006
752006
The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl) benzothiazole: a TDDFT molecular dynamics study
N Kungwan, F Plasser, AJA Aquino, M Barbatti, P Wolschann, H Lischka
Physical Chemistry Chemical Physics 14 (25), 9016-9025, 2012
722012
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