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Journal of Chemical Theory and Computation
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November 24, 2015
Tuned Range-Separated Time-Dependent Density Functional Theory Applied to Optical Rotation
Monika Srebro, Jochen Autschbach
Inorganic Chemistry
|
April 30, 2009
Theoretical analysis of bonding in N-heterocyclic carbene-rhodium complexes
Monika Srebro, Artur Michalak
Accounts of Chemical Research
|
June 27, 2014
Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties
Jochen Autschbach, Monika Srebro
The Journal of Physical Chemistry Letters
|
August 20, 2015
Does a Molecule-Specific Density Functional Give an Accurate Electron Density? The Challenging Case of the CuCl Electric Field Gradient
Monika Srebro, Jochen Autschbach
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 30, 2013
Computational analysis of (47/49)Ti NMR shifts and electric field gradient tensors of half-titanocene complexes: structure-bonding-property relationships
Monika Srebro, Jochen Autschbach
Annual Review of Physical Chemistry
|
May 3, 2017
Calculating Natural Optical Activity of Molecules from First Principles
Monika Srebro-Hooper, Jochen Autschbach
Journal of Chemical Theory and Computation
|
November 26, 2015
Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone
Barry Moore, Monika Srebro, Jochen Autschbach
Journal of Chemical Theory and Computation
|
November 27, 2015
Conformational Stability and Spin States of Cobalt(II) Acetylacetonate: CASPT2 and DFT Study
Mariusz Radoń, Monika Srebro, Ewa Broclawik
The Journal of Physical Chemistry. A
|
December 11, 2019
Substituent Effect on Conformational Preferences in Ground and Excited States of Selected Schiff Bases: An Insight from Theoretical Calculations
Mercedes Kukułka, Monika Srebro-Hooper, Mariusz P Mitoraj
Chemistryopen
|
May 18, 2022
Optical Activity of Spin-Forbidden Electronic Transitions in Metal Complexes from Time-Dependent Density Functional Theory with Spin-Orbit Coupling
Herbert D Ludowieg, Monika Srebro-Hooper, Jeanne Crassous, et al.
Page
of 8
Search research articles
Search
Showing results (1-10 of 72) with videos related to
Sort By:
Page
of 8
Journal of Chemical Theory and Computation
|
November 24, 2015
Tuned Range-Separated Time-Dependent Density Functional Theory Applied to Optical Rotation
Monika Srebro, Jochen Autschbach
Inorganic Chemistry
|
April 30, 2009
Theoretical analysis of bonding in N-heterocyclic carbene-rhodium complexes
Monika Srebro, Artur Michalak
Accounts of Chemical Research
|
June 27, 2014
Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties
Jochen Autschbach, Monika Srebro
The Journal of Physical Chemistry Letters
|
August 20, 2015
Does a Molecule-Specific Density Functional Give an Accurate Electron Density? The Challenging Case of the CuCl Electric Field Gradient
Monika Srebro, Jochen Autschbach
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 30, 2013
Computational analysis of (47/49)Ti NMR shifts and electric field gradient tensors of half-titanocene complexes: structure-bonding-property relationships
Monika Srebro, Jochen Autschbach
Annual Review of Physical Chemistry
|
May 3, 2017
Calculating Natural Optical Activity of Molecules from First Principles
Monika Srebro-Hooper, Jochen Autschbach
Journal of Chemical Theory and Computation
|
November 26, 2015
Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone
Barry Moore, Monika Srebro, Jochen Autschbach
Journal of Chemical Theory and Computation
|
November 27, 2015
Conformational Stability and Spin States of Cobalt(II) Acetylacetonate: CASPT2 and DFT Study
Mariusz Radoń, Monika Srebro, Ewa Broclawik
The Journal of Physical Chemistry. A
|
December 11, 2019
Substituent Effect on Conformational Preferences in Ground and Excited States of Selected Schiff Bases: An Insight from Theoretical Calculations
Mercedes Kukułka, Monika Srebro-Hooper, Mariusz P Mitoraj
Chemistryopen
|
May 18, 2022
Optical Activity of Spin-Forbidden Electronic Transitions in Metal Complexes from Time-Dependent Density Functional Theory with Spin-Orbit Coupling
Herbert D Ludowieg, Monika Srebro-Hooper, Jeanne Crassous, et al.
Page
of 8