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The Journal of Physical Chemistry. A
|
August 19, 2011
Structure and NMR spectra of some [2.2]paracyclophanes. The dilemma of [2.2]paracyclophane symmetry
Helena Dodziuk, Sławomir Szymański, Jarosław Jaźwiński, et al.
The Journal of Chemical Physics
|
January 24, 2015
Molecular quantum mechanical gradients within the polarizable embedding approach--application to the internal vibrational Stark shift of acetophenone
Nanna Holmgaard List, Maarten T P Beerepoot, Jógvan Magnus Haugaard Olsen, et al.
The Journal of Chemical Physics
|
May 17, 2020
ReSpect: Relativistic spectroscopy DFT program package
Michal Repisky, Stanislav Komorovsky, Marius Kadek, et al.
Journal of Chemical Theory and Computation
|
February 24, 2018
Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde
W James Morgan, Devin A Matthews, Magnus Ringholm, et al.
The Journal of Physical Chemistry. A
|
January 26, 2013
Determination of absolute configuration and conformation of a cyclic dipeptide by NMR and chiral spectroscopic methods
Xiaojun Li, Kathrin H Hopmann, Jana Hudecová, et al.
Journal of Chemical Theory and Computation
|
May 19, 2021
Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model
Karen Oda Hjorth Minde Dundas, Maarten T P Beerepoot, Magnus Ringholm, et al.
The Journal of Physical Chemistry. A
|
August 18, 2025
X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
Michal Repisky, Stanislav Komorovsky, Lukas Konecny, et al.
Angewandte Chemie (International Ed. in English)
|
October 31, 2012
A combined atomic force microscopy and computational approach for the structural elucidation of breitfussin A and B: highly modified halogenated dipeptides from Thuiaria breitfussi
Kine Ø Hanssen, Bruno Schuler, Antony J Williams, et al.
Journal of Computational Chemistry
|
February 19, 2014
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
Elda Rossi, Stefano Evangelisti, Antonio Laganà, et al.
The Journal of Chemical Physics
|
June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.
Page
of 17
Search research articles
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Showing results (151-160 of 161) with videos related to
Sort By:
Page
of 17
The Journal of Physical Chemistry. A
|
August 19, 2011
Structure and NMR spectra of some [2.2]paracyclophanes. The dilemma of [2.2]paracyclophane symmetry
Helena Dodziuk, Sławomir Szymański, Jarosław Jaźwiński, et al.
The Journal of Chemical Physics
|
January 24, 2015
Molecular quantum mechanical gradients within the polarizable embedding approach--application to the internal vibrational Stark shift of acetophenone
Nanna Holmgaard List, Maarten T P Beerepoot, Jógvan Magnus Haugaard Olsen, et al.
The Journal of Chemical Physics
|
May 17, 2020
ReSpect: Relativistic spectroscopy DFT program package
Michal Repisky, Stanislav Komorovsky, Marius Kadek, et al.
Journal of Chemical Theory and Computation
|
February 24, 2018
Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde
W James Morgan, Devin A Matthews, Magnus Ringholm, et al.
The Journal of Physical Chemistry. A
|
January 26, 2013
Determination of absolute configuration and conformation of a cyclic dipeptide by NMR and chiral spectroscopic methods
Xiaojun Li, Kathrin H Hopmann, Jana Hudecová, et al.
Journal of Chemical Theory and Computation
|
May 19, 2021
Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model
Karen Oda Hjorth Minde Dundas, Maarten T P Beerepoot, Magnus Ringholm, et al.
The Journal of Physical Chemistry. A
|
August 18, 2025
X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
Michal Repisky, Stanislav Komorovsky, Lukas Konecny, et al.
Angewandte Chemie (International Ed. in English)
|
October 31, 2012
A combined atomic force microscopy and computational approach for the structural elucidation of breitfussin A and B: highly modified halogenated dipeptides from Thuiaria breitfussi
Kine Ø Hanssen, Bruno Schuler, Antony J Williams, et al.
Journal of Computational Chemistry
|
February 19, 2014
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
Elda Rossi, Stefano Evangelisti, Antonio Laganà, et al.
The Journal of Chemical Physics
|
June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.
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of 17