An experimental and theoretical investigation of XPS and NEXAFS of 5-halouracils

Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory

(2017) Daniel R. Nascimento et al.   Journal of Physical Chemistry Letters

Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment

(2015) Alberto Baiardi et al.   JOURNAL OF CHEMICAL PHYSICS

Study of complex molecules of biological interest with synchrotron radiation

(2015) K.C. Prince et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator

(2014) Jan Wenzel et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Photofragmentation of Halogenated Pyrimidine Molecules in the VUV Range

(2014) Mattea Carmen Castrovilli et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Non-additivity of polarizabilities and van der Waals C6 coefficients of fullerenes

(2013) Joanna Kauczor et al.   JOURNAL OF CHEMICAL PHYSICS

Is Uracil Aromatic? The Enthalpies of Hydrogenation in the Gaseous and Crystalline Phases, and in Aqueous Solution, as Tools to Obtain an Answer

(2013) Tiago L. P. Galvão et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Competition between electron-donor and electron-acceptor substituents in nitrotoluene isomers: a photoelectron spectroscopy and ab initio investigation

(2013) Flaminia Rondino et al.   RSC Advances

Resonant Auger spectroscopy at the carbon and nitrogen K-edges of pyrimidine

(2012) P. Bolognesi et al.   JOURNAL OF CHEMICAL PHYSICS

Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory

(2010) P. Bolognesi et al.   JOURNAL OF CHEMICAL PHYSICS

Tautomerism in Cytosine and Uracil: A Theoretical and Experimental X-ray Absorption and Resonant Auger Study

(2010) Vitaliy Feyer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Minimally augmented Karlsruhe basis sets

(2010) Jingjing Zheng et al.   THEORETICAL CHEMISTRY ACCOUNTS

Ab initio Theoretical Investigation of Phthalocyanine−Semiconductor Hybrid Systems

(2009) G. Mattioli et al.   CHEMISTRY OF MATERIALS

Investigation of Halogenated Pyrimidines by X-ray Photoemission Spectroscopy and Theoretical DFT Methods

(2009) P. Bolognesi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An experimental and computational study of the valence photoelectron spectra of halogenated pyrimidines

(2009) Patrick O'Keeffe et al.   MOLECULAR PHYSICS

Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals

(2009) Nicholas A. Besley et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Core Level Study of Alanine and Threonine

(2008) Vitaliy Feyer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine

(2007) O. Plekan et al.   CHEMICAL PHYSICS