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Frank Neese

Showing results (51-60 of 560) with videos related to

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Journal of Chemical Theory and Computation|November 27, 2015
Interplay of Correlation and Relativistic Effects in Correlated Calculations on Transition-Metal Complexes: The (Cu2O2)(2+) Core RevisitedDimitrios G Liakos, Frank Neese
Journal of Chemical Theory and Computation|January 28, 2025
Core-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion TheoryMarcos Casanova-Páez, Frank Neese
Journal of Computational Chemistry|January 1, 2020
Effect of the Solute Cavity on the Solvation Energy and its Derivatives within the Framework of the Gaussian Charge SchemeMiquel Garcia-Ratés, Frank Neese
Inorganic Chemistry|October 24, 2001
Calculation of Zero-Field Splittings, g-Values, and the Relativistic Nephelauxetic Effect in Transition Metal Complexes. Application to High-Spin Ferric ComplexesFrank Neese, Edward I. Solomon
Angewandte Chemie (International Ed. in English)|July 10, 2003
Bioinorganic reaction mechanisms: from high-valent iron to bioorganometallic chemistryLeonardo D Slep, Frank Neese
Journal of Chemical Theory and Computation|November 18, 2015
Domain Based Pair Natural Orbital Coupled Cluster Studies on Linear and Folded Alkane ChainsDimitrios G Liakos, Frank Neese
Inorganic Chemistry|January 23, 2010
Calibration of scalar relativistic density functional theory for the calculation of sulfur K-edge X-ray absorption spectraSerena Debeer George, Frank Neese
The Journal of Physical Chemistry. A|April 12, 2012
Improved correlation energy extrapolation schemes based on local pair natural orbital methodsDimitrios G Liakos, Frank Neese
Journal of Computational Chemistry|April 3, 2019
Efficient implementation of the analytical second derivatives of hartree-fock and hybrid DFT energies within the framework of the conductor-like polarizable continuum modelMiquel Garcia-Ratés, Frank Neese
Faraday Discussions|February 17, 2011
What is not required to make a single molecule magnetFrank Neese, Dimitrios A Pantazis
Pageof 56

Showing results (51-60 of 560) with videos related to

Sort By:
Pageof 56
Journal of Chemical Theory and Computation|November 27, 2015
Interplay of Correlation and Relativistic Effects in Correlated Calculations on Transition-Metal Complexes: The (Cu2O2)(2+) Core RevisitedDimitrios G Liakos, Frank Neese
Journal of Chemical Theory and Computation|January 28, 2025
Core-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion TheoryMarcos Casanova-Páez, Frank Neese
Journal of Computational Chemistry|January 1, 2020
Effect of the Solute Cavity on the Solvation Energy and its Derivatives within the Framework of the Gaussian Charge SchemeMiquel Garcia-Ratés, Frank Neese
Inorganic Chemistry|October 24, 2001
Calculation of Zero-Field Splittings, g-Values, and the Relativistic Nephelauxetic Effect in Transition Metal Complexes. Application to High-Spin Ferric ComplexesFrank Neese, Edward I. Solomon
Angewandte Chemie (International Ed. in English)|July 10, 2003
Bioinorganic reaction mechanisms: from high-valent iron to bioorganometallic chemistryLeonardo D Slep, Frank Neese
Journal of Chemical Theory and Computation|November 18, 2015
Domain Based Pair Natural Orbital Coupled Cluster Studies on Linear and Folded Alkane ChainsDimitrios G Liakos, Frank Neese
Inorganic Chemistry|January 23, 2010
Calibration of scalar relativistic density functional theory for the calculation of sulfur K-edge X-ray absorption spectraSerena Debeer George, Frank Neese
The Journal of Physical Chemistry. A|April 12, 2012
Improved correlation energy extrapolation schemes based on local pair natural orbital methodsDimitrios G Liakos, Frank Neese
Journal of Computational Chemistry|April 3, 2019
Efficient implementation of the analytical second derivatives of hartree-fock and hybrid DFT energies within the framework of the conductor-like polarizable continuum modelMiquel Garcia-Ratés, Frank Neese
Faraday Discussions|February 17, 2011
What is not required to make a single molecule magnetFrank Neese, Dimitrios A Pantazis
Pageof 56