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Current Medicinal Chemistry
|
November 28, 2009
Molecular recognition and drug-lead identification: what can molecular simulations tell us?
Giulia Morra, Alessandro Genoni, Marco A C Neves, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2022
The <i>N</i>,<i>N</i>,<i>N</i>-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies
Andrea Daolio, Erna K Wieduwilt, Andrea Pizzi, et al.
Journal of Chemical Theory and Computation
|
January 19, 2023
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
Erna K Wieduwilt, Roberto A Boto, Giovanni Macetti, et al.
Journal of Applied Crystallography
|
June 30, 2021
The advanced treatment of hydrogen bonding in quantum crystallography
Lorraine A Malaspina, Alessandro Genoni, Dylan Jayatilaka, et al.
The Journal of Chemical Physics
|
April 1, 2023
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials
Emanuel Hupf, Florian Kleemiss, Tobias Borrmann, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 3, 2016
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines
Arianna Bertolani, Andrea Pizzi, Lisa Pirrie, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 18, 2019
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography
Malte Fugel, Maksym V Ponomarenko, Maxie F Hesse, et al.
Inorganic Chemistry
|
February 15, 2019
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes
Maja K Thomsen, Andreas Nyvang, James P S Walsh, et al.
The Journal of Physical Chemistry Letters
|
February 27, 2026
Periodic Hirshfeld Atom Refinement
Kanghyun Chu, Dylan Jayatilaka, Lorraine A Malaspina, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 2, 2017
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical
Ariste Bolivard Voufack, Nicolas Claiser, Claude Lecomte, et al.
Page
of 6
Search research articles
Search
Showing results (41-50 of 55) with videos related to
Sort By:
Page
of 6
Current Medicinal Chemistry
|
November 28, 2009
Molecular recognition and drug-lead identification: what can molecular simulations tell us?
Giulia Morra, Alessandro Genoni, Marco A C Neves, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2022
The <i>N</i>,<i>N</i>,<i>N</i>-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies
Andrea Daolio, Erna K Wieduwilt, Andrea Pizzi, et al.
Journal of Chemical Theory and Computation
|
January 19, 2023
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
Erna K Wieduwilt, Roberto A Boto, Giovanni Macetti, et al.
Journal of Applied Crystallography
|
June 30, 2021
The advanced treatment of hydrogen bonding in quantum crystallography
Lorraine A Malaspina, Alessandro Genoni, Dylan Jayatilaka, et al.
The Journal of Chemical Physics
|
April 1, 2023
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials
Emanuel Hupf, Florian Kleemiss, Tobias Borrmann, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 3, 2016
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines
Arianna Bertolani, Andrea Pizzi, Lisa Pirrie, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 18, 2019
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography
Malte Fugel, Maksym V Ponomarenko, Maxie F Hesse, et al.
Inorganic Chemistry
|
February 15, 2019
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes
Maja K Thomsen, Andreas Nyvang, James P S Walsh, et al.
The Journal of Physical Chemistry Letters
|
February 27, 2026
Periodic Hirshfeld Atom Refinement
Kanghyun Chu, Dylan Jayatilaka, Lorraine A Malaspina, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 2, 2017
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical
Ariste Bolivard Voufack, Nicolas Claiser, Claude Lecomte, et al.
Page
of 6