A theoretical exploration on electronically excited states of protonated furan and thiophene

scientific article published on 4 November 2015

A theoretical exploration on electronically excited states of protonated furan and thiophene is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1039/C5PP00266D
P698PubMed publication ID26536296

P2093author name stringZahra Heidari
Mohammad Salehi
Reza Omidyan
P2860cites workGaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenQ26778446
Electronic structure calculations on workstation computers: The program system turbomoleQ29013264
Investigation of the electronic vibrational structure of furan by REMPI.Q33264638
Ultrafast dynamics in thiophene investigated by femtosecond pump probe photoelectron spectroscopy and theoryQ33313259
Protonated benzene dimer: an experimental and ab initio studyQ33484888
Effect of protonation on the electronic structure of aromatic molecules: naphthaleneH+.Q33711215
Role of the Charge-Transfer State in the Electronic Absorption of Protonated Hydrocarbon MoleculesQ33748789
Modeling ultrafast exciton deactivation in oligothiophenes via nonadiabatic dynamicsQ41351829
Electronically excited states of protonated aromatic molecules: benzaldehydeQ43213614
Spin-orbit coupling of DFT/MRCI wavefunctions: method, test calculations, and application to thiopheneQ43994835
Theoretical study of excitations in furan: spectra and molecular dynamicsQ45033631
Computational study on the photophysics of protonated benzene.Q46032240
Computational studies of the photophysics of neutral and zwitterionic amino acids in an aqueous environment: tyrosine-(H(2)O)(2) and tryptophan-(H(2)O)(2) clusters.Q46188595
Infrared spectroscopy of gas phase benzenium ions: protonated benzene and protonated toluene, from 750 to 3400 cm-1.Q46609943
Excited states of thiophene: ring opening as deactivation mechanismQ46823493
Protonation effect on the electronic properties of 2-pyridone monomer, dimer and its water clusters: a theoretical studyQ46944911
Electronic spectroscopy of cold, protonated tryptophan and tyrosineQ46967629
Electronically excited states of protonated aromatic hydrocarbons: phenanthrene and pyrene.Q50494599
P433issue12
P304page(s)2261-2269
P577publication date2015-11-04
P1433published inPhotochemical and Photobiological SciencesQ3381558
P1476titleA theoretical exploration on electronically excited states of protonated furan and thiophene
P478volume14

Reverse relations

Q53411416A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene.cites workP2860

Search more.