
OpenAlex is a bibliographic catalogue of scientific papers, authors and institutions accessible in open access mode, named after the Library of Alexandria. It's citation coverage is excellent and I hope you will find utility in this listing of citing articles!
If you click the article title, you'll navigate to the article, as listed in CrossRef. If you click the Open Access links, you'll navigate to the "best Open Access location". Clicking the citation count will open this listing for that article. Lastly at the bottom of the page, you'll find basic pagination options.
Requested Article:
Benchmarking the Computational Costs and Quality of Vibrational Spectra from Ab Initio Simulations
Shima Taherivardanjani, Roman Elfgen, Werner Reckien, et al.
Advanced Theory and Simulations (2021) Vol. 5, Iss. 1
Open Access | Times Cited: 20
Shima Taherivardanjani, Roman Elfgen, Werner Reckien, et al.
Advanced Theory and Simulations (2021) Vol. 5, Iss. 1
Open Access | Times Cited: 20
Showing 20 citing articles:
Machine learning electronic structure methods based on the one-electron reduced density matrix
Xuecheng Shao, Lukas Paetow, Mark E. Tuckerman, et al.
Nature Communications (2023) Vol. 14, Iss. 1
Open Access | Times Cited: 24
Xuecheng Shao, Lukas Paetow, Mark E. Tuckerman, et al.
Nature Communications (2023) Vol. 14, Iss. 1
Open Access | Times Cited: 24
Molecular Dynamics with Constrained Nuclear Electronic Orbital Density Functional Theory: Accurate Vibrational Spectra from Efficient Incorporation of Nuclear Quantum Effects
Xi Xu, Zehua Chen, Yang Yang
Journal of the American Chemical Society (2022) Vol. 144, Iss. 9, pp. 4039-4046
Open Access | Times Cited: 34
Xi Xu, Zehua Chen, Yang Yang
Journal of the American Chemical Society (2022) Vol. 144, Iss. 9, pp. 4039-4046
Open Access | Times Cited: 34
Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited with Constrained Nuclear-Electronic Orbital Methods
Yuzhe Zhang, Yiwen Wang, Xi Xu, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 24, pp. 9358-9368
Open Access | Times Cited: 11
Yuzhe Zhang, Yiwen Wang, Xi Xu, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 24, pp. 9358-9368
Open Access | Times Cited: 11
Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials
Zhao Li, Kaihang Shi, David Dubbeldam, et al.
Journal of Chemical Theory and Computation (2024)
Closed Access | Times Cited: 2
Zhao Li, Kaihang Shi, David Dubbeldam, et al.
Journal of Chemical Theory and Computation (2024)
Closed Access | Times Cited: 2
The effect of machine learning predicted anharmonic frequencies on thermodynamic properties of fluid hydrogen fluoride
Jamoliddin Khanifaev, Tim Schrader, Eva Perlt
The Journal of Chemical Physics (2024) Vol. 160, Iss. 12
Closed Access | Times Cited: 1
Jamoliddin Khanifaev, Tim Schrader, Eva Perlt
The Journal of Chemical Physics (2024) Vol. 160, Iss. 12
Closed Access | Times Cited: 1
Boosting the Modeling of InfraRed and Raman Spectra of Bulk Phase Chromophores with Machine Learning
Abir KEBABSA, François Maurel, Éric Brémond
(2024)
Open Access | Times Cited: 1
Abir KEBABSA, François Maurel, Éric Brémond
(2024)
Open Access | Times Cited: 1
Machine-learning to predict anharmonic frequencies: a study of models and transferability
Jamoliddin Khanifaev, Tim Schrader, Eva Perlt
Physical Chemistry Chemical Physics (2024) Vol. 26, Iss. 35, pp. 23495-23502
Open Access | Times Cited: 1
Jamoliddin Khanifaev, Tim Schrader, Eva Perlt
Physical Chemistry Chemical Physics (2024) Vol. 26, Iss. 35, pp. 23495-23502
Open Access | Times Cited: 1
Robust Computation and Analysis of Vibrational Spectra of Layered Framework Materials Including Host–Guest Interactions
Ekin Esme Bas, Karen Marlenne Garcia Alvarez, Andreas Schneemann, et al.
Journal of Chemical Theory and Computation (2024)
Open Access | Times Cited: 1
Ekin Esme Bas, Karen Marlenne Garcia Alvarez, Andreas Schneemann, et al.
Journal of Chemical Theory and Computation (2024)
Open Access | Times Cited: 1
Completely Computational Model Setup for Spectroscopic Techniques: The Ab Initio Molecular Dynamics Indirect Hard Modeling Approach
Justus Wöhl, Wassja A. Kopp, Iryna Yevlakhovych, et al.
The Journal of Physical Chemistry A (2022) Vol. 126, Iss. 18, pp. 2845-2853
Open Access | Times Cited: 6
Justus Wöhl, Wassja A. Kopp, Iryna Yevlakhovych, et al.
The Journal of Physical Chemistry A (2022) Vol. 126, Iss. 18, pp. 2845-2853
Open Access | Times Cited: 6
Hydrogen Bonding and Infrared Spectra of Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/Water Mixtures: A View from Molecular Dynamics Simulations
Piotr Wróbel, Piotr Kubisiak, Andrzej Eilmes
The Journal of Physical Chemistry B (2022) Vol. 126, Iss. 51, pp. 10922-10932
Open Access | Times Cited: 5
Piotr Wróbel, Piotr Kubisiak, Andrzej Eilmes
The Journal of Physical Chemistry B (2022) Vol. 126, Iss. 51, pp. 10922-10932
Open Access | Times Cited: 5
Comparative assessment of the performance of density functionals and dispersion correction on different properties of dicationic ionic liquids – An ab initio molecular dynamics (AIMD) study
Zahra Ostadsharif Memar, Majid Moosavi
Physical Chemistry Chemical Physics (2024)
Closed Access
Zahra Ostadsharif Memar, Majid Moosavi
Physical Chemistry Chemical Physics (2024)
Closed Access
Short-time collective dynamics of an ionic liquid: A computer simulation study with non-polarizable and polarizable models, and ab initio molecular dynamics
Vitor H. Paschoal, Mauro C. C. Ribeiro
The Journal of Chemical Physics (2024) Vol. 161, Iss. 24
Closed Access
Vitor H. Paschoal, Mauro C. C. Ribeiro
The Journal of Chemical Physics (2024) Vol. 161, Iss. 24
Closed Access
Force field refinement for reproducing experimental infrared spectra of ionic liquids
András Szabadi, Aleksandar Doknic, Jonathan Netsch, et al.
Physical Chemistry Chemical Physics (2023) Vol. 25, Iss. 29, pp. 19882-19890
Open Access | Times Cited: 1
András Szabadi, Aleksandar Doknic, Jonathan Netsch, et al.
Physical Chemistry Chemical Physics (2023) Vol. 25, Iss. 29, pp. 19882-19890
Open Access | Times Cited: 1
How Much Can Molecular Dynamics Improve over Harmonic Analysis on Vibrational Spectrum Predictions? Insights from Microcanonical Molecular Simulations of Anharmonic Water Clusters
Yuzhe Zhang, Yiwen Wang, Xi Xu, et al.
(2023)
Open Access | Times Cited: 1
Yuzhe Zhang, Yiwen Wang, Xi Xu, et al.
(2023)
Open Access | Times Cited: 1
How Much Can Molecular Dynamics Improve on Harmonic Analysis for Vibrational Spectrum Predictions? Insights from Microcanonical Molecular Simulations of Highly Anharmonic Water Clusters
Yuzhe Zhang, Yiwen Wang, Xi Xu, et al.
(2023)
Open Access | Times Cited: 1
Yuzhe Zhang, Yiwen Wang, Xi Xu, et al.
(2023)
Open Access | Times Cited: 1
Energy relaxation pathways and their isotope effects of water bending mode in liquid phase: A nonequilibrium ab initio molecular dynamics simulation study
Tatsuya Ishiyama
Chemical Physics (2023) Vol. 576, pp. 112086-112086
Closed Access | Times Cited: 1
Tatsuya Ishiyama
Chemical Physics (2023) Vol. 576, pp. 112086-112086
Closed Access | Times Cited: 1
Vibrational spectra of highly anharmonic water clusters: Molecular dynamics and harmonic analyses revisited with constrained nuclear-electronic orbital methods
Yuzhe Zhang, Yiwen Wang, Xi Xu, et al.
(2023)
Open Access | Times Cited: 1
Yuzhe Zhang, Yiwen Wang, Xi Xu, et al.
(2023)
Open Access | Times Cited: 1
Robust Computation and Analysis of Vibrational Spectra of Layered Framework Materials including Host-Guest Interactions
Ekin Esme Bas, Karen Marlenne Garcia Alvarez, Andreas Schneemann, et al.
(2024)
Open Access
Ekin Esme Bas, Karen Marlenne Garcia Alvarez, Andreas Schneemann, et al.
(2024)
Open Access
Boosting the Modeling of Infrared and Raman Spectra of Bulk Phase Chromophores with Machine Learning
Abir KEBABSA, François Maurel, Éric Brémond
Journal of Chemical Theory and Computation (2024)
Open Access
Abir KEBABSA, François Maurel, Éric Brémond
Journal of Chemical Theory and Computation (2024)
Open Access
Completely computational model setup for spectroscopic techniques: the ab initio molecular dynamics indirect hard modeling (AIMD-IHM) approach
Justus Wöhl, Wassja A. Kopp, Iryna Yevlakhovych, et al.
(2022)
Open Access
Justus Wöhl, Wassja A. Kopp, Iryna Yevlakhovych, et al.
(2022)
Open Access