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Journal of Chemical Information and Modeling
|
May 31, 2008
Calculation of quantum-mechanical descriptors for QSPR at the DFT level: is it necessary?
Tomasz Puzyn, Noriyuki Suzuki, Maciej Haranczyk, et al.
Journal of Computational Chemistry
|
December 29, 2007
Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine
Maciej Haranczyk, John Holliday, Peter Willett, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
November 22, 2025
Towards a Synergy-Driven Design Paradigm for Metal-Organic Framework/Polymer Nanocomposites via Predictive Multiscale Simulations
Phuong Vo, Sergio Lucarini, Javier Segurado, et al.
The Journal of Physical Chemistry. B
|
December 6, 2008
Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies
Shina C L Kamerlin, Maciej Haranczyk, Arieh Warshel
The Journal of Physical Chemistry. B
|
January 30, 2008
Cylindrical projection of electrostatic potential and image analysis tools for damaged DNA: the substitution of thymine with thymine glycol
Maciej Haranczyk, Giovanni Lupica, Iwona Dabkowska, et al.
Scientific Reports
|
March 23, 2022
Machine learning-aided design of composite mycotoxin detoxifier material for animal feed
Giulia Lo Dico, Siska Croubels, Verónica Carcelén, et al.
Chemsuschem
|
January 21, 2022
High-Performance Mg-Li Hybrid Batteries Based on Pseudocapacitive Anatase Ti<sub>1-x</sub> Co<sub>x</sub> O<sub>2-y</sub> Nanosheet Cathodes
Mewin Vincent, Venkata Sai Avvaru, Maciej Haranczyk, et al.
The Journal of Physical Chemistry. B
|
April 17, 2008
Accelerating QM/MM free energy calculations: representing the surroundings by an updated mean charge distribution
Edina Rosta, Maciej Haranczyk, Zhen T Chu, et al.
Journal of Chemical Theory and Computation
|
March 19, 2021
Fast and Accurate Machine Learning Strategy for Calculating Partial Atomic Charges in Metal-Organic Frameworks
Srinivasu Kancharlapalli, Arun Gopalan, Maciej Haranczyk, et al.
The Journal of Physical Chemistry. B
|
December 7, 2007
Adiabatically bound valence anions of guanine
Maciej Haranczyk, Maciej Gutowski, Xiang Li, et al.
Page
of 8
Search research articles
Search
Showing results (21-30 of 77) with videos related to
Sort By:
Page
of 8
Journal of Chemical Information and Modeling
|
May 31, 2008
Calculation of quantum-mechanical descriptors for QSPR at the DFT level: is it necessary?
Tomasz Puzyn, Noriyuki Suzuki, Maciej Haranczyk, et al.
Journal of Computational Chemistry
|
December 29, 2007
Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine
Maciej Haranczyk, John Holliday, Peter Willett, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
November 22, 2025
Towards a Synergy-Driven Design Paradigm for Metal-Organic Framework/Polymer Nanocomposites via Predictive Multiscale Simulations
Phuong Vo, Sergio Lucarini, Javier Segurado, et al.
The Journal of Physical Chemistry. B
|
December 6, 2008
Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies
Shina C L Kamerlin, Maciej Haranczyk, Arieh Warshel
The Journal of Physical Chemistry. B
|
January 30, 2008
Cylindrical projection of electrostatic potential and image analysis tools for damaged DNA: the substitution of thymine with thymine glycol
Maciej Haranczyk, Giovanni Lupica, Iwona Dabkowska, et al.
Scientific Reports
|
March 23, 2022
Machine learning-aided design of composite mycotoxin detoxifier material for animal feed
Giulia Lo Dico, Siska Croubels, Verónica Carcelén, et al.
Chemsuschem
|
January 21, 2022
High-Performance Mg-Li Hybrid Batteries Based on Pseudocapacitive Anatase Ti<sub>1-x</sub> Co<sub>x</sub> O<sub>2-y</sub> Nanosheet Cathodes
Mewin Vincent, Venkata Sai Avvaru, Maciej Haranczyk, et al.
The Journal of Physical Chemistry. B
|
April 17, 2008
Accelerating QM/MM free energy calculations: representing the surroundings by an updated mean charge distribution
Edina Rosta, Maciej Haranczyk, Zhen T Chu, et al.
Journal of Chemical Theory and Computation
|
March 19, 2021
Fast and Accurate Machine Learning Strategy for Calculating Partial Atomic Charges in Metal-Organic Frameworks
Srinivasu Kancharlapalli, Arun Gopalan, Maciej Haranczyk, et al.
The Journal of Physical Chemistry. B
|
December 7, 2007
Adiabatically bound valence anions of guanine
Maciej Haranczyk, Maciej Gutowski, Xiang Li, et al.
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