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Journal of Chemical Theory and Computation
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November 20, 2015
A Caveat on SCC-DFTB and Noncovalent Interactions Involving Sulfur Atoms
Riccardo Petraglia, Clemence Corminboeuf
Journal of Chemical Theory and Computation
|
April 23, 2020
Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors
Alberto Fabrizio, Riccardo Petraglia, Clemence Corminboeuf
The Journal of Physical Chemistry Letters
|
October 27, 2015
Exploiting Dispersion-Driven Aggregators as a Route to New One-Dimensional Organic Nanowires
Adrien Nicolaï, Hongguang Liu, Riccardo Petraglia, et al.
Journal of Computational Chemistry
|
August 1, 2015
Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry
Riccardo Petraglia, Adrien Nicolaï, Matthew D Wodrich, et al.
Journal of Chemical Theory and Computation
|
March 24, 2018
Analyzing Fluxional Molecules Using DORI
Laurent Vannay, Benjamin Meyer, Riccardo Petraglia, et al.
Chemical Science
|
June 14, 2021
Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy
Philippe Schwaller, Riccardo Petraglia, Valerio Zullo, et al.
Chemical Science
|
April 29, 2017
Photochromic Torsional Switch (PTS): a light-driven actuator for the dynamic tuning of π-conjugation extension
Jan Maciejewski, Adam Sobczuk, Alexis Claveau, et al.
Nature Chemistry
|
May 23, 2014
Functional carbon nanosheets prepared from hexayne amphiphile monolayers at room temperature
Stephen Schrettl, Cristina Stefaniu, Christian Schwieger, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 2, 2020
Crystallization and Organic Field-Effect Transistor Performance of a Hydrogen-Bonded Quaterthiophene
Jan Gebers, Bilal Özen, Lucia Hartmann, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 20, 2015
A Caveat on SCC-DFTB and Noncovalent Interactions Involving Sulfur Atoms
Riccardo Petraglia, Clemence Corminboeuf
Journal of Chemical Theory and Computation
|
April 23, 2020
Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors
Alberto Fabrizio, Riccardo Petraglia, Clemence Corminboeuf
The Journal of Physical Chemistry Letters
|
October 27, 2015
Exploiting Dispersion-Driven Aggregators as a Route to New One-Dimensional Organic Nanowires
Adrien Nicolaï, Hongguang Liu, Riccardo Petraglia, et al.
Journal of Computational Chemistry
|
August 1, 2015
Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry
Riccardo Petraglia, Adrien Nicolaï, Matthew D Wodrich, et al.
Journal of Chemical Theory and Computation
|
March 24, 2018
Analyzing Fluxional Molecules Using DORI
Laurent Vannay, Benjamin Meyer, Riccardo Petraglia, et al.
Chemical Science
|
June 14, 2021
Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy
Philippe Schwaller, Riccardo Petraglia, Valerio Zullo, et al.
Chemical Science
|
April 29, 2017
Photochromic Torsional Switch (PTS): a light-driven actuator for the dynamic tuning of π-conjugation extension
Jan Maciejewski, Adam Sobczuk, Alexis Claveau, et al.
Nature Chemistry
|
May 23, 2014
Functional carbon nanosheets prepared from hexayne amphiphile monolayers at room temperature
Stephen Schrettl, Cristina Stefaniu, Christian Schwieger, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 2, 2020
Crystallization and Organic Field-Effect Transistor Performance of a Hydrogen-Bonded Quaterthiophene
Jan Gebers, Bilal Özen, Lucia Hartmann, et al.
Page
of 1