An efficient first principles method for molecular pump-probe NEXAFS spectra: Application to thymine and azobenzene
Published 2018 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
An efficient first principles method for molecular pump-probe NEXAFS spectra: Application to thymine and azobenzene
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 149, Issue 14, Pages 144112
Publisher
AIP Publishing
Online
2018-10-12
DOI
10.1063/1.5050488
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules
- (2018) Patrick Norman et al. CHEMICAL REVIEWS
- A theoretical and experimental benchmark study of core-excited states in nitrogen
- (2018) Rolf H. Myhre et al. JOURNAL OF CHEMICAL PHYSICS
- Roadmap of ultrafast x-ray atomic and molecular physics
- (2018) Linda Young et al. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
- Ultrafast X-Ray Spectroscopy of Conical Intersections
- (2018) Simon P. Neville et al. PHYSICAL REVIEW LETTERS
- Identification of isomers in the gas phase and as adsorbates by near-edge X-ray absorption fine structure spectroscopy: Cis - and trans -stilbene
- (2017) Ralph Püttner et al. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
- Ultrafast Intersystem Crossing in Acetylacetone via Femtosecond X-ray Transient Absorption at the Carbon K-Edge
- (2017) Aditi Bhattacherjee et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Theoretical identification of seven C80 fullerene isomers by XPS and NEXAFS spectroscopy
- (2017) Xiu-Neng Song et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction
- (2017) Andrew R. Attar et al. SCIENCE
- Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption
- (2017) T. J. A. Wolf et al. Nature Communications
- Software update: the ORCA program system, version 4.0
- (2017) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
- Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics
- (2016) Simon P. Neville et al. JOURNAL OF CHEMICAL PHYSICS
- Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory
- (2016) Rolf H. Myhre et al. Journal of Chemical Theory and Computation
- The quest for best suited references for configuration interaction singles calculations of core excited states
- (2016) Christopher Ehlert et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- A detailed assignment of NEXAFS resonances of imidazolium based ionic liquids
- (2016) Christopher Ehlert et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework
- (2015) Sonia Coriani et al. JOURNAL OF CHEMICAL PHYSICS
- Nature of the N–Pd Interaction in Nitrogen-Doped Carbon Nanotube Catalysts
- (2015) Rosa Arrigo et al. ACS Catalysis
- Calculating X-ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator
- (2014) Jan Wenzel et al. Journal of Chemical Theory and Computation
- C K-edge NEXAFS spectra of graphene with physical and chemical defects: a study based on density functional theory
- (2014) Christopher Ehlert et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules
- (2012) Sonia Coriani et al. PHYSICAL REVIEW A
- Challenges for Density Functional Theory
- (2011) Aron J. Cohen et al. CHEMICAL REVIEWS
- A theoretical study of the near edge X-ray absorption fine structure of amino acids and proteins
- (2010) Matthew W. Buckley et al. CHEMICAL PHYSICS LETTERS
- Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice
- (2010) M. Leetmaa et al. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
- Structure and Excitonic Coupling in Self-Assembled Monolayers of Azobenzene-Functionalized Alkanethiols
- (2010) Cornelius Gahl et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Time-dependent density functional theory calculations of the spectroscopy of core electrons
- (2010) Nicholas A. Besley et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Intersystem Crossing and Characterization of Dark States in the Pyrimidine Nucleobases Uracil, Thymine, and 1-Methylthymine†
- (2009) Mihajlo Etinski et al. JOURNAL OF PHYSICAL CHEMISTRY A
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started