On the accessibility to conical intersections in purines: Hypoxanthine and its singly protonated and deprotonated forms

Journal of the American Chemical Society

Volumn 134, Issue 18, 2012, Pages 7820-7829

  Villabona Monsalve, Juan P ^a   Noria, Raquel ^a   Matsika, Spiridoula ^b   Peón, Jorge ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b Temple University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO GROUP; AMINO-SUBSTITUTION; BIEXPONENTIAL DECAY; CONICAL INTERSECTION; DEPROTONATED FORM; DNA BASIS; ELECTRONIC EXCITATION; EXCITED STATE LIFETIMES; EXCITED-STATE DYNAMICS; FEMTOSECOND FLUORESCENCE; GROUND STATE GEOMETRY; HETEROCYCLES; INOSINE; METHANOL SOLUTION; MOLECULAR PARAMETERS; MULTI REFERENCE; MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS; NUCLEOBASES; OUT-OF PLANE; PERTURBATION THEORY; PROTONATED; PROTONATION SITE; RESONANCE STRUCTURE; SINGLET MANIFOLD; STRUCTURAL MODIFICATIONS; ULTRA-FAST; UP-CONVERSION;

DYNAMICS; EXCITED STATES; EXPERIMENTS; FLUORESCENCE; GROUND STATE; METHANOL; PERTURBATION TECHNIQUES; PROTONATION;

NUCLEAR PHYSICS;

DNA BASE; GUANINE; HYPOXANTHINE; INOSINE; METHANOL; NUCLEIC ACID BASE; NUCLEOSIDE; PURINE; WATER;

ARTICLE; CALCULATION; DYNAMICS; EXCITATION; MULTIREFERENCE CONFIGURATION INTERACTION CALCULATION; MULTIREFERENCE PERTURBATION THEORY; PROTON TRANSPORT; TAUTOMER; THEORY;

GUANINE; HYPOXANTHINE; INOSINE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTONS; PURINES; STEREOISOMERISM;

EID: 84860868109     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja300546x     Document Type: Article

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