Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics.
about
The methyl- and aza-substituent effects on nonradiative decay mechanisms of uracil in water: a transient absorption study in the UV region.Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption.Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases.Monitoring Non-Adiabatic Dynamics of the RNA Base Uracil by UV-Pump-IR-Probe Spectroscopy.Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate.Probing the Conical Intersection Dynamics of the RNA Base Uracil by UV-Pump Stimulated-Raman-Probe Signals; Ab Initio Simulations.Progress and challenges in the calculation of electronic excited states.Photochemistry and photophysics at extended seams of conical intersection.A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs.Ultrafast X-ray Auger probing of photoexcited molecular dynamics.How Does Thymine DNA Survive Ultrafast Dimerization Damage?New Insights into the State Trapping of UV-Excited Thymine.Optimizing minimum free-energy crossing points in solution: linear-response free energy/spin-flip density functional theory approach.ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization.Probing the excited state relaxation dynamics of pyrimidine nucleosides in chloroform solution.Internal conversion and intersystem crossing pathways in UV excited, isolated uracils and their implications in prebiotic chemistry.Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: excited-state QM/MM molecular dynamics simulations.A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde
P2860
Q31090784-3402C722-02F6-443A-866B-37FAFC535CCBQ33826312-AEBF372C-9D97-48BE-8B7D-6766825485EDQ34411668-A7799AC5-6D6E-4C39-9D3D-F358DE669085Q37058620-603A87F9-D455-4B5D-B6DC-83C54862C206Q37252490-9C02055A-041E-4F9E-AE0A-989F3D72FA8BQ37644148-7CA12738-EB5E-40B3-AAF8-1643C9547014Q37933188-24B924FF-102A-49FD-B4FB-3EBB7F7D0F08Q38243360-E070095F-2FD4-4F40-B625-5E738C70BD3FQ39918331-FCB94604-3F07-45D1-8B40-2AA40309B286Q46080856-E50B54A4-7CEC-46CB-AEB3-A82EBB0F3826Q50261875-E5990975-C8CE-42CC-BE4E-F4FB01424BD3Q50271066-2408834A-2AD2-4B87-8118-9E61F6B38524Q51017556-3FD8F38C-80C2-46EA-8387-C3CB89E788C2Q51358728-C22D16D8-5469-4A99-9893-4A7EE62FB882Q51778877-2F29C6D7-AA0E-4DB2-BD41-E3FD703E80E8Q53097764-F76D5D55-E1D3-4211-971D-9CC0FA3ABDC0Q54469846-4C474237-25B2-44B7-94B9-3D454EFCEE9BQ57400015-46ECA3DD-9A83-4888-BB0A-BF2BDF5A3B68
P2860
Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh-hant
name
Photophysics of the pi,pi* and ...... nd CASSCF on-the-fly dynamics.
@en
Photophysics of the pi,pi* and ...... nd CASSCF on-the-fly dynamics.
@nl
type
label
Photophysics of the pi,pi* and ...... nd CASSCF on-the-fly dynamics.
@en
Photophysics of the pi,pi* and ...... nd CASSCF on-the-fly dynamics.
@nl
prefLabel
Photophysics of the pi,pi* and ...... nd CASSCF on-the-fly dynamics.
@en
Photophysics of the pi,pi* and ...... nd CASSCF on-the-fly dynamics.
@nl
P2093
P356
P1476
Photophysics of the pi,pi* and ...... nd CASSCF on-the-fly dynamics.
@en
P2093
Benjamin Lasorne
David Asturiol
Michael A Robb
P304
10211-10218
P356
10.1021/JP905303G
P407
P577
2009-09-01T00:00:00Z