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Photochemical reaction mechanisms of 2-nitrobenzyl compounds: 2-Nitrobenzyl alcohols form 2-nitroso hydrates by dual proton transfer

Martin Gáplovský, Yuri V. Il’ichev, Yavor Kamdzhilov, Svetlana V. Kombarova, Marek Mac, Markus A. Schwörer, Jakob Wirz

Photochemical & Photobiological Sciences · 2004 · 101 citations · 22 references

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Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

, , +14

Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

Mark E. Casida, Christine Jamorski, Kim C. Casida et al. · The Journal of Chemical Physics · 1998 · 5K citations

, , +9

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

Maurizio Cossi, Vincenzo Barone, Roberto Cammi et al. · Chemical Physics Letters · 1996 · 3.4K citations

, , +17

Determination of pH: Theory and Practice

Roger G. Bates, Ashok K. Vijh · Journal of The Electrochemical Society · 1973 · 1.4K citations

, , +8

Rapid photolytic release of adenosine 5'-triphosphate from a protected analog: utilization by the sodium:potassium pump of human red blood cell ghosts

Jack H. Kaplan, Bliss Forbush, Joseph F. Hoffman · Biochemistry · 1978 · 768 citations

, , +11