4.7 Article

Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Ultrafast nonadiabatic dynamics probed by nitrogen K-edge absorption spectroscopy

T. Northey et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States

Marta L. Vidal et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)

Article Physics, Multidisciplinary

Picosecond timescale tracking of pentacene triplet excitons with chemical sensitivity

R. Costantini et al.

COMMUNICATIONS PHYSICS (2019)

Article Chemistry, Physical

How To Excite Nuclear Wavepackets into Electronically Degenerate States in Spin-Vibronic Quantum Dynamics Simulations

Matyas Papai et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)

Article Optics

Roadmap of ultrafast x-ray atomic and molecular physics

Linda Young et al.

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2018)

Article Physics, Multidisciplinary

Ultrafast X-Ray Spectroscopy of Conical Intersections

Simon P. Neville et al.

PHYSICAL REVIEW LETTERS (2018)

Article Chemistry, Physical

Non-equilibrium x-ray spectroscopy using direct quantum dynamics

T. Northey et al.

JOURNAL OF CHEMICAL PHYSICS (2018)

Article Chemistry, Multidisciplinary

Ultrafast Intersystem Crossing in Acetylacetone via Femtosecond X-ray Transient Absorption at the Carbon K-Edge

Aditi Bhattacherjee et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Article Multidisciplinary Sciences

Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction

Andrew R. Attar et al.

SCIENCE (2017)

Article Multidisciplinary Sciences

Time-resolved x-ray absorption spectroscopy with a water window high-harmonic source

Yoann Pertot et al.

SCIENCE (2017)

Article Multidisciplinary Sciences

Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

T. J. A. Wolf et al.

NATURE COMMUNICATIONS (2017)

Review Chemistry, Multidisciplinary

Ultrashort Free-Electron Laser X-ray Pulses

Wolfram Helml et al.

APPLIED SCIENCES-BASEL (2017)

Review Chemistry, Multidisciplinary

Photoinduced Structural Dynamics of Molecular Systems Mapped by Time-Resolved X-ray Methods

Majed Chergui et al.

CHEMICAL REVIEWS (2017)

Book Chemistry, Multidisciplinary

Applications of Quantum Dynamics in Chemistry

F Gatti et al.

APPLICATIONS OF QUANTUM DYNAMICS IN CHEMISTRY (2017)

Article Chemistry, Physical

Probing spin-vibronic dynamics using femtosecond X-ray spectroscopy

T. J. Penfold et al.

FARADAY DISCUSSIONS (2016)

Article Chemistry, Physical

Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

Simon P. Neville et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Shrinking the Synchrotron: Tabletop Extreme Ultraviolet Absorption of Transition-Metal Complexes

Kaili Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)

Article Physics, Multidisciplinary

X-ray free-electron lasers: from dreams to reality

C. Pellegrini

PHYSICA SCRIPTA (2016)

Article Chemistry, Physical

Probing spin-vibronic dynamics using femtosecond X-ray spectroscopy

T. J. Penfold et al.

FARADAY DISCUSSIONS (2016)

Article Chemistry, Physical

Time-resolved X-ray spectroscopies of chemical systems: New perspectives

Majed Chergui

STRUCTURAL DYNAMICS-US (2016)

Review Chemistry, Physical

Quantum dynamics simulations using Gaussian wavepackets: the vMCG method

G. W. Richings et al.

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2015)

Article Optics

Probing wavepacket dynamics using ultrafast x-ray spectroscopy

G. Capano et al.

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2015)

Article Chemistry, Physical

Quantum dynamics of the photostability of pyrazine

Matthieu Sala et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao et al.

MOLECULAR PHYSICS (2015)

Article Chemistry, Physical

The role of the low-lying dark n pi(star) states in the photophysics of pyrazine: a quantum dynamics study

Matthieu Sala et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Review Geochemistry & Geophysics

Fundamentals of XAFS

Matthew Newville

SPECTROSCOPIC METHODS IN MINERALOLOGY AND MATERIALS SCIENCES (2014)

Review Chemistry, Multidisciplinary

Recent advances on ultrafast X-ray spectroscopy in the chemical sciences

L. X. Chen et al.

CHEMICAL SCIENCE (2014)

Article Chemistry, Physical

Between ethylene and polyenes - the non-adiabatic dynamics of cis-dienes

Thomas S. Kuhlman et al.

FARADAY DISCUSSIONS (2012)

Article Optics

A compact X-ray free-electron laser emitting in the sub-angstrom region

Tetsuya Ishikawa et al.

NATURE PHOTONICS (2012)

Article Chemistry, Multidisciplinary

Coupled-cluster theory and its equation-of-motion extensions

Rodney J. Bartlett

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Review Chemistry, Physical

Molecular Structural Dynamics Probed by Ultrafast X-Ray Absorption Spectroscopy

Christian Bressler et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 61 (2010)

Article Chemistry, Physical

Self-consistent-field calculations of core excited states

Nicholas A. Besley et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Review Chemistry, Physical

Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics

G. A. Worth et al.

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2008)

Article Chemistry, Physical

The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase

G. Vall-llosera et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)

Andrew T. B. Gilbert et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Review Physics, Multidisciplinary

Coupled-cluster theory in quantum chemistry

Rodney J. Bartlett et al.

REVIEWS OF MODERN PHYSICS (2007)

Article Chemistry, Physical

Natural transition orbitals

RL Martin

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

Full quantum mechanical molecular dynamics using Gaussian wavepackets

GA Worth et al.

CHEMICAL PHYSICS LETTERS (2003)

Review Physics, Multidisciplinary

The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets

MH Beck et al.

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2000)