Semiempirical molecular dynamics investigation of the excited state lifetime of ethylene (original) (raw)
Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces
Mario Barbatti, Joachim Paier
2004
View PDFchevron_right
Nonempirical Calculations on Excited States: The Ethylene Molecule
Thom Dunning
The Journal of Chemical Physics, 1967
View PDFchevron_right
Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting
Hannes Jonsson
Journal of Physical Chemistry Letters, 2022
View PDFchevron_right
Ultrafast internal conversion in ethylene. I. The excited state lifetime
Hongli Tao
Chemical Physics, 2011
View PDFchevron_right
Application of time-dependent density-functional theory to electron-ion couplng in ethylene
Jeffrey Giansiracusa
Israel Journal of Chemistry, 2002
View PDFchevron_right
Role of Rydberg States in the Photochemical Dynamics of Ethylene
Michael Schuurman
The Journal of Physical Chemistry A, 2012
View PDFchevron_right
Ab initio molecular dynamics study of cis–trans photoisomerization in ethylene
Michal Ben-Nun
Chemical Physics Letters, 1998
View PDFchevron_right
Electron impact excitation of the singlet and triplet states of ethylene near threshold
Kenneth D. Jordan
Chemical Physics Letters, 1995
View PDFchevron_right
Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene
Todd Martinez
Chemical Physics Letters, 2003
View PDFchevron_right
The construction of semi-diabatic potential energy surfaces of excited states for use in excited state AIMD studies by the equation-of-motion coupled-cluster method
Kyoung Baeck
View PDFchevron_right
Interaction of Vibrational Fundamental and Combination States of Ethylene in the 3 μm Region
B. Sartakov
Journal of Molecular Spectroscopy, 1997
View PDFchevron_right
Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer
Mario Barbatti
2012
View PDFchevron_right
Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene
Duncan Mowbray
View PDFchevron_right
Production of electronically excited CH via the vacuum ultraviolet photodissociation of ethylene and the possible role of the ethylidene isomer
Niloufar Shafizadeh, S. Douin
The Journal of Chemical Physics, 2003
View PDFchevron_right
Excited state dynamics with the direct trajectory surface hopping method: azobenzene and its derivatives as a case study
Maurizio Persico
Theoretical Chemistry Accounts, 2007
View PDFchevron_right
Ab initio Studies of long range interactions between ethylene molecules in the multipole expansion
Fred Mulder
Theoretica Chimica Acta, 1977
View PDFchevron_right
Photo-double-ionization of ethylene and acetylene near threshold
Philipp Pelz
Physical Review A, 2014
View PDFchevron_right
Time-resolved photoelectron spectroscopy from first principles: Excited state dynamics of benzene
Todd Martinez
Faraday Discussions, 2011
View PDFchevron_right
Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules
Sebastian Fernandez-alberti
The Journal of Chemical Physics, 2012
View PDFchevron_right
Product energy distributions from ethylene photodissociation at 193 nm: a DFT direct classical trajectory study
Saulo Vázquez
Chemical Physics Letters, 2003
View PDFchevron_right
Implementation of surface hopping molecular dynamics using semiempirical methods
Eduardo Fabiano
Chemical Physics, 2008
View PDFchevron_right
Dissociative electron attachment and dipolar dissociation in ethylene
E Krishnakumar
International Journal of Mass Spectrometry, 2014
View PDFchevron_right
Nonadiabatic molecular dynamics simulation of photoexcitation experiments for the solvated electron in methanol
David Coker
The Journal of Chemical Physics, 1999
View PDFchevron_right
Angle-resolved photoelectron spectra of ethylene as a function of photon energy using synchrotron radiation
Thomas J.s Carlson
Journal of Electron Spectroscopy and Related Phenomena, 1982
View PDFchevron_right
Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials
Vladimir Chernyak
Accounts of Chemical Research, 2014
View PDFchevron_right
Between ethylene and polyenes - the non-adiabatic dynamics of cis-dienes
Todd Martinez
Faraday Discussions, 2012
View PDFchevron_right
Photodissociation dynamics of propyne at 193 nm: a trajectory surface hopping study
SUBHENDU GHOSH
View PDFchevron_right