Results 211 to 220 of about 5,869 (242)
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Physical Chemistry Chemical Physics, 2020
Theoretical calculations obtained new insights into the photochemistry of furoylazides and nitrenes.
Jian Li +3 more
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Theoretical calculations obtained new insights into the photochemistry of furoylazides and nitrenes.
Jian Li +3 more
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ChemInform, 2006
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
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AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
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Photochemistry of Acetohydroxamic Acid in Solid Argon. FTIR and Theoretical Studies
The Journal of Physical Chemistry A, 2017The products formed during exposure of the CH3CONHOH/Ar (AHA/Ar) matrices to the full output of the Xe lamp and to 225 nm OPO radiation are studied. The irradiation promotes the isomerization, 1Z → 1E, and AHA photodissociation reactions. Four pairs of coproducts are experimentally found to appear in the photolysis, they form the complexes: CH3OH ...
Magdalena Sałdyka, Zofia Mielke
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Some Theoretical Applications of Organic Photochemistry
ChemInform, 2005AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
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Theoretical Aspects of Small Molecule Rydberg Photochemistry
1981Since most of the important features of the Rydberg spectroscopy of small molecules have been discussed in detail in the recent literature by Robin (1) and Sandorfy (2) we will concentrate on the theoretical aspects of their photochemical behavior. We have reviewed this subject in some detail (3) so that here we will concentrate on the construction of ...
E. M. Evleth, E. Kassab
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Theoretical Investigation of the Atmospheric Photochemistry of Glyoxylic Acid in the Gas Phase
The Journal of Physical Chemistry A, 2019The photochemistry of glyoxylic acid (HC(O)C(O)OH) is explored in the near UV in both the singlet (S1/S0) and triplet (T1) manifolds using density functional theory (M06-2X/aug-cc-pVTZ) to reach an overall mechanistic picture of the atmospherically relevant photochemistry in the gas phase.
Aaron W. Harrison +2 more
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Theoretical Insight into the Spectroscopy and Photochemistry of Isoalloxazine, the Flavin Core Ring
The Journal of Physical Chemistry A, 2006The electronic singlet-singlet and singlet-triplet electronic transitions of the isoalloxazine ring of the flavin core are studied using second-order perturbation theory within the framework of the CASPT2//CASSCF protocol. The main features of the absorption spectrum are computed at 3.09, 4.28, 4.69, 5.00, and 5.37 eV.
Teresa, Climent +3 more
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Accounts of Chemical Research, 2002
The photochemistry of organic reactants in the crystalline state has a long history. What has been lacking is comprehensive theory defining what controls the course of these reactions which quite often afford products not obtainable in solution. Also lacking has been solid-state rearrangement chemistry with accompanying theory. In our research over the
Howard E, Zimmerman, Evgueni E, Nesterov
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The photochemistry of organic reactants in the crystalline state has a long history. What has been lacking is comprehensive theory defining what controls the course of these reactions which quite often afford products not obtainable in solution. Also lacking has been solid-state rearrangement chemistry with accompanying theory. In our research over the
Howard E, Zimmerman, Evgueni E, Nesterov
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Photochemistry of the CpNiNO Complex. A Theoretical Study Using Density Functional Theory
Inorganic Chemistry, 2001The photochemistry of the CpNiNO complex has been investigated using density functional theory. The whole potential energy curve along the NiNO angle coordinate is presented for the first time with both ground and metastable states, and transition states connecting the minima. The excited states of the GS, MS(I), and MS(II) species have been calculated
Boulet, P., Chermette, H., Weber, J.
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