4.6 Article

New insight into the potential energy landscape and relaxation pathways of photoexcited aniline from CASSCF and XMCQDPT2 electronic structure calculations

Related references

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

Photoisomerization of Stilbene: The Detailed XMCQDPT2 Treatment

I. N. Ioffe et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Organic

How the Conical Intersection Seam Controls Chemical Selectivity in the Photocycloaddition of Ethylene and Benzene

Juan J. Serrano-Perez et al.

JOURNAL OF ORGANIC CHEMISTRY (2013)

Article Chemistry, Physical

Quantum Dynamics Study of Photoexcited Aniline

F. Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2013)

Article Chemistry, Physical

Triple-Decker Motif for Red-Shifted Fluorescent Protein Mutants

Bella L. Grigorenko et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Article Chemistry, Physical

Theoretical study of the photochemical generation of triplet acetophenone

Miquel Huix-Rotllant et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Femtosecond Raman spectra of cis-stilbene and trans-stilbene with isotopomers in solution

A. L. Dobryakov et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model

Samer Gozem et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

Article Chemistry, Physical

7-Amino-dibenzofuran-3-carboxylate: A new probe for ferntosecond dynamic microsolvation studies of biomolecules

Falko Berndt et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2012)

Article Chemistry, Multidisciplinary

Unraveling Ultrafast Dynamics in Photoexcited Aniline

Gareth M. Roberts et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Article Chemistry, Physical

Shedding new light on the role of the Rydberg state in the photochemistry of aniline

Roman Spesyvtsev et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Time-resolved photoelectron spectroscopy from first principles: Excited state dynamics of benzene

Alexis L. Thompson et al.

FARADAY DISCUSSIONS (2011)

Article Chemistry, Physical

Ultrafast dynamics of aniline in the 294-234 nm excitation range: The role of the πσ* state

Raul Montero et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Biochemistry & Molecular Biology

Photoreaction in BLUF Receptors: Proton-coupled Electron Transfer in the Flavin-Gln-Tyr System

Aniko Udvarhelyi et al.

PHOTOCHEMISTRY AND PHOTOBIOLOGY (2011)

Article Chemistry, Physical

Dynamical insights into 1πσ* state mediated photodissociation of aniline

Graeme A. King et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

The effect of oxidation on the electronic structure of the green fluorescent protein chromophore

E. Epifanovsky et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Review Chemistry, Physical

pi sigma* excited states in molecular photochemistry

Michael N. R. Ashfold et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Controlling the mechanism of fulvene S-1/S-0 decay: switching off the stepwise population transfer

David Mendive-Tapia et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Competing ultrafast intersystem crossing and internal conversion in the channel 3 region of benzene

R. S. Minns et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Ultrafast dynamics of the S1 excited state of benzene

D. S. N. Parker et al.

CHEMICAL PHYSICS LETTERS (2009)

Article Chemistry, Physical

A model Hamiltonian to simulate the complex photochemistry of benzene II

Thomas J. Penfold et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Ab initio characterization of the conical intersections involved in the photochemistry of phenol

Olivier P. J. Vieuxmaire et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

A three-state model for the photophysics of guanine

Luis Serrano-Andres et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Chemistry, Physical

Using photoelectron spectroscopy to unravel the excited-state dynamics of benzene

G. A. Worth et al.

CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

A model Hamiltonian to simulate the complex photochemistry of benzene

G. A. Worth

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2007)

Article Chemistry, Physical

Substituted anilines: The tug-of-war between pyramidalization and resonance inside and outside of crystal cavities

Igor V. Alabugin et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2007)

Article Chemistry, Physical

Simulation of inversion motion and N-H stretching overtone spectra of aniline

Vesa Hanninen et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

The aniline-water and aniline-methanol complexes in the S1 excited state

G. Piani et al.

CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

The nonadiabatic deactivation paths of pyrrole

Mario Barbatti et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Multidisciplinary

A three-state model for the photophysics of adenine

Luis Serrano-Andres et al.

CHEMISTRY-A EUROPEAN JOURNAL (2006)

Article Chemistry, Physical

Ab initio study of the structure of aniline in the S1 and S2 ππ states

E Drougas et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2006)

Article Chemistry, Multidisciplinary

Excited-state potential energy surface for the photophysics of adenine

L Blancafort

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

Article Chemistry, Physical

Theoretical study of low-lying triplet states of aniline

XJ Hou et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

Article Chemistry, Physical

Scaling factors for the prediction of vibrational spectra. II. The aniline molecule and several derivatives

MA Palafox et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)

Article Chemistry, Multidisciplinary

Ab initio studies on the radiationless decay mechanisms of the lowest excited singlet states of 9H-adenine

S Perun et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Chemistry, Physical

Computation of conical intersections by using perturbation techniques -: art. no. 104107

L Serrano-Andrés et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Geometry changes upon S0→S1 electronic excitation of aniline derivatives

K Pirowska et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Multidisciplinary

Ultrafast internal conversion of excited cytosine via the lowest ππ* electronic singlet state

M Merchán et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Chemistry, Multidisciplinary

Ground and excited state CASPT2 geometry optimizations of small organic molecules

CS Page et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)

Article Chemistry, Physical

Accidental conical intersections of three states of the same symmetry. I. Location and relevance

S Matsika et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Physical

Accurate scaling of the vibrational spectra of aniline and several derivatives

MA Palafox et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2002)