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- Conference Paper
- C3
- open access
Efficient calculation of QM/MM frequencies with the Mobile Block Hessian
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Normal modes for large molecules with arbitrary link constraints in the mobile block Hessian approach
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Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in Macromolecules
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- Conference Paper
- C1
- open access
Normal mode analysis of macromolecular systems with the Mobile Block Hessian method
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- Conference Paper
- C3
- open access
Normal mode calculations with the QM/MM full Hessian and the Mobile Block Hessian (MBH) method
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- Conference Paper
- C3
- open access
Normal modes in partially optimized molecular systems: the Mobile Block Hessian (MBH) approach
(2008) -
- Conference Paper
- C3
- open access
On the development of a partial vibrational analysis within a QM/MM approach
(2008) -
- Conference Paper
- C3
- open access
An efficient approach for the calculation of frequencies in macromolecules
(2008) -
Calculating reaction rates with partial Hessians: Validation of the mobile block Hessian approach
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MFI fingerprint: How pentasil-induced IR bands shift during zeolite nanogrowth
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Vibrational modes in partially optimized molecular systems