Computational design of improved two‐photon active caging compounds based on nitrodibenzofuran
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Andreas Dreuw | Matthias A. Polkehn | Robert Binder | Alexander Heckel | Stefan Knippenberg | A. Dreuw | A. Heckel | R. Binder | S. Knippenberg | M. Polkehn
[1] M. Head‐Gordon,et al. Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange , 2003 .
[2] J. Kaplan,et al. Rapid photolytic release of adenosine 5'-triphosphate from a protected analogue: utilization by the Na:K pump of human red blood cell ghosts. , 1978, Biochemistry.
[3] P. Strevens. Iii , 1985 .
[4] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[5] A. Dreuw,et al. Investigating the CO2 uncaging mechanism of nitrophenylacetates by means of fs-IR spectroscopy and quantum chemical calculations. , 2011, Physical chemistry chemical physics : PCCP.
[6] S. Frings,et al. [7‐(Dialkylamino)coumarin‐4‐yl]methyl‐Caged Compounds as Ultrafast and Effective Long‐Wavelength Phototriggers of 8Bromo‐Substituted Cyclic Nucleotides , 2003, Chembiochem : a European journal of chemical biology.
[7] Jinbo Li,et al. Chemistry and biological applications of photo-labile organic molecules. , 2010, Chemical Society reviews.
[8] M. Etinski,et al. Theoretical Investigation of the Excited States of 2‐Nitrobenzyl and 4,5‐Methylendioxy‐2‐nitrobenzyl Caging Groups † , 2009, Photochemistry and photobiology.
[9] Christof Hättig,et al. CC2 excitation energy calculations on large molecules using the resolution of the identity approximation , 2000 .
[10] P. Gilch,et al. The early processes in the photochemistry of ortho-nitrobenzyl acetate , 2011 .
[11] Hans W. Horn,et al. ELECTRONIC STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS: THE PROGRAM SYSTEM TURBOMOLE , 1989 .
[12] David J. Tozer,et al. Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn–Sham theory , 2003 .
[13] G. Ellis‐Davies,et al. The nitrodibenzofuran chromophore: a new caging group for ultra-efficient photolysis in living cells , 2005, Nature Methods.
[14] U. Steiner,et al. Photolabile Protecting Groups for Nucleosides: Mechanistic Studies of the 2-(2-Nitrophenyl)ethyl Group , 2001 .
[15] Poul Jørgensen,et al. The second-order approximate coupled cluster singles and doubles model CC2 , 1995 .
[16] C. Marian,et al. Performance of the Density Functional Theory/Multireference Configuration Interaction Method on Electronic Excitation of Extended π-Systems. , 2008, Journal of chemical theory and computation.
[17] N. Handy,et al. A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) , 2004 .
[18] R. Tsien,et al. Biologically useful chelators that take up calcium(2+) upon illumination , 1989 .
[19] Jochen Schirmer,et al. Beyond the random-phase approximation: A new approximation scheme for the polarization propagator , 1982 .
[20] P. Tavan,et al. Electronic excitations in finite and infinite polyenes. , 1987, Physical review. B, Condensed matter.
[21] S. Tretiak,et al. Prediction of Two-Photon Absorption Properties for Organic Chromophores Using Time-Dependent Density-Functional Theory , 2004 .
[22] Holger Patzelt,et al. RI-MP2: optimized auxiliary basis sets and demonstration of efficiency , 1998 .
[23] Jakob Wirz,et al. Photoremovable protecting groups: reaction mechanisms and applications , 2002, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.
[24] A. Dreuw,et al. Molecular mechanism of uncaging CO2 from nitrophenylacetate provides general guidelines for improved ortho-nitrobenzyl cages. , 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.
[25] A. Becke. A New Mixing of Hartree-Fock and Local Density-Functional Theories , 1993 .
[26] B R Masters,et al. Two-photon excitation fluorescence microscopy. , 2000, Annual review of biomedical engineering.
[27] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[28] Manabu Oumi,et al. A doubles correction to electronic excited states from configuration interaction in the space of single substitutions , 1994 .
[29] Christof Hättig,et al. Structure Optimizations for Excited States with Correlated Second-Order Methods: CC2 and ADC(2) , 2005 .
[30] S. Tretiak,et al. Enhanced Two‐Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments , 2008 .
[31] P. N. Day,et al. TDDFT study of one- and two-photon absorption properties: donor-pi-acceptor chromophores. , 2005, The journal of physical chemistry. B.
[32] Wolfram Koch,et al. A Chemist's Guide to Density Functional Theory , 2000 .
[33] M. Head‐Gordon,et al. Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes. , 2004, Journal of the American Chemical Society.
[34] T. H. Dunning. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen , 1989 .
[35] T. Dunning,et al. Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions , 1992 .
[36] Günter Mayer,et al. Biologically active molecules with a "light switch". , 2006, Angewandte Chemie.
[37] Andreas Dreuw,et al. How much double excitation character do the lowest excited states of linear polyenes have , 2006 .
[38] Manabu Oumi,et al. A perturbative correction to restricted open shell configuration interaction with single substitutions for excited states of radicals , 1995 .
[39] J. Nicoud,et al. Molecular engineering of photoremovable protecting groups for two-photon uncaging. , 2008, Angewandte Chemie.
[40] Jochen Schirmer,et al. An efficient polarization propagator approach to valence electron excitation spectra , 1995 .
[41] Prashant K. Khade,et al. Synthesis and photochemical properties of nitro-naphthyl chromophore and the corresponding immunoglobulin bioconjugate. , 2002, Bioconjugate chemistry.
[42] R. Givens,et al. New Photoactivated Protecting Groups. 6. p-Hydroxyphenacyl: A Phototrigger for Chemical and Biochemical Probes1,2 , 1997 .
[43] K. Schaper,et al. Photoprocesses of Molecules with 2‐Nitrobenzyl Protecting Groups and Caged Organic Acids , 2007, Photochemistry and photobiology.
[44] R. Parr. Density-functional theory of atoms and molecules , 1989 .
[45] Shawn T. Brown,et al. Advances in methods and algorithms in a modern quantum chemistry program package. , 2006, Physical chemistry chemical physics : PCCP.
[46] G. Ellis‐Davies,et al. Caged compounds: photorelease technology for control of cellular chemistry and physiology , 2007, Nature Methods.