Related references
Note: Only part of the references are listed.Simulation of photo-excited adenine in water with a hierarchy of equations of motion approach
Arend G. Dijkstra et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides
Ana Julieta Pepino et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy
L. Martinez-Fernandez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Using coherence to enhance function in chemical and biophysical systems
Gregory D. Scholes et al.
NATURE (2017)
The IPEA dilemma in CASPT2
J. Patrick Zobel et al.
CHEMICAL SCIENCE (2017)
Simulating Coherent Multidimensional Spectroscopy of Nonadiabatic Molecular Processes: From the Infrared to the X-ray Regime
Markus Kowalewski et al.
CHEMICAL REVIEWS (2017)
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Francesco Aquilante et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
UV-Induced Charge Transfer States in DNA Promote Sequence Selective Self-Repair
Dominik Benjamin Bucher et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate
Quansong Li et al.
CHEMISTRY-A EUROPEAN JOURNAL (2016)
Simulation of Multi-Dimensional Signals in the Optical Domain: Quantum-Classical Feedback in Nonlinear Exciton Propagation
Martin Richter et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models
L. Martinez-Fernandez et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
New Insights into the Photophysics of DNA Nucleobases
Valentyn I. Prokhorenko et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra
Angelo Giussani et al.
THEORETICAL CHEMISTRY ACCOUNTS (2016)
Early Events of DNA Photodamage
Wolfgang J. Schreier et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66 (2015)
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations
Artur Nenov et al.
FARADAY DISCUSSIONS (2015)
Two-dimensional sum-frequency generation (2D SFG) spectroscopy: summary of principles and its application to amyloid fiber monolayers
Ayanjeet Ghosh et al.
FARADAY DISCUSSIONS (2015)
Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy
Artur Nenov et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy
D. Polli et al.
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES (2015)
Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back
Irene Conti et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Spectral lineshapes in nonlinear electronic spectroscopy
Artur Nenov et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations
Artur Nenov et al.
FARADAY DISCUSSIONS (2015)
Two-dimensional sum-frequency generation (2D SFG) spectroscopy: summary of principles and its application to amyloid fiber monolayers
Ayanjeet Ghosh et al.
FARADAY DISCUSSIONS (2015)
Deciphering the photochemical mechanisms describing the UV-induced processes occurring in solvated guanine monophosphate
Salvatore F. Altavilla et al.
FRONTIERS IN CHEMISTRY (2015)
Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study
Artur Nenov et al.
CHEMPHYSCHEM (2014)
Ab Initio Simulations of Two-Dimensional Electronic Spectra: The SOS//QM/MM Approach
Ivan Rivalta et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2014)
Relative Stability of the La and Lb Excited States in Adenine and Guanine: Direct Evidence from TD-DFT Calculations of MCD Spectra
Fabrizio Santoro et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Structural motif of polyglutamine amyloid fibrils discerned with mixed-isotope infrared spectroscopy
Lauren E. Buchanan et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)
Charge separation and charge delocalization identified in long-living states of photoexcited DNA
Dominik B. Bucher et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)
Surface hopping modeling of two-dimensional spectra
Roel Tempelaar et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Calculating Two-Dimensional Spectra with the Mixed Quantum-Classical Ehrenfest Method
C. P. van der Vegte et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck-Condon Region
Peter G. Szalay et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Base-Stacking Disorder and Excited-State Dynamics in Single-Stranded Adenine Homo-oligonucleotides
Charlene Su et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Intramolecular Base Stacking of Dinucleoside Monophosphate Anions in Aqueous Solution
Salem Jafilan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Two-Dimensional Electronic Spectroscopy in the Ultraviolet Wavelength Range
Brantley A. West et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study
Vicenta Sauri et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Probing Ultrafast Dynamics in Adenine With Mid-UV Four-Wave Mixing Spectroscopies
Brantley A. West et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Fluorescence of DNA Duplexes: From Model Helices to Natural DNA
Dimitra Markovitsi et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
Mario Barbatti et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Two-Dimensional Electronic Spectroscopy of Molecular Aggregates
Naomi S. Ginsberg et al.
ACCOUNTS OF CHEMICAL RESEARCH (2009)
Coherent Multidimensional Optical Spectroscopy of Excitons in Molecular Aggregates; Quasiparticle versus Supermolecule Perspectives
Darius Abramavicius et al.
CHEMICAL REVIEWS (2009)
Are the five natural DNA/RNA base monomers a good choice from natural selection?
Luis Serrano-Andrés et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS (2009)
Density fitting with auxiliary basis sets from Cholesky decompositions
Thomas Bondo Pedersen et al.
THEORETICAL CHEMISTRY ACCOUNTS (2009)
The restricted active space followed by second-order perturbation theory method:: Theory and application to the study of CuO2 and Cu2O2 systems
Per Ake Malmqvist et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
UV excitation of single DNA and RNA strands produces high yields of exciplex states between two stacked bases
Tomohisa Takaya et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Unbiased auxiliary basis sets for accurate two-electron integral approximations
Francesco Aquilante et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Refinenement of the AMBER force field for nucleic acids:: Improving the description of α/γ conformers
Alberto Perez et al.
BIOPHYSICAL JOURNAL (2007)
Sum-over-states versus quasiparticle pictures of coherent correlation spectroscopy of excitons in semiconductors: Femtosecond analogs of multidimensional NMR
Shaul Mukamel et al.
PHYSICAL REVIEW B (2007)
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
Francesco Aquilante et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Thymine dimerization in DNA is an ultrafast photoreaction
Wolfgang J. Schreier et al.
SCIENCE (2007)
Heterogeneous exciton dynamics revealed by two-dimensional optical spectroscopy
Igor Stiopkin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
The Amber biomolecular simulation programs
DA Case et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Ultrafast excited-state dynamics in nucleic acids
CE Crespo-Hernández et al.
CHEMICAL REVIEWS (2004)
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
G Ghigo et al.
CHEMICAL PHYSICS LETTERS (2004)
Ultrafast excited-state dynamics of adenine and monomethylated adenines in solution: Implications for the nonradiative decay mechanism
B Cohen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
The restricted active space (RAS) state interaction approach with spin-orbit coupling
PÅ Malmqvist et al.
CHEMICAL PHYSICS LETTERS (2002)
Adenine, deoxyadenosine and deoxyadenosine 5′-monophosphate studied by femtosecond fluorescence upconversion spectroscopy
T Gustavsson et al.
CHEMICAL PHYSICS LETTERS (2002)
Share Paper
