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The Journal of Chemical Physics
|
May 2, 2025
Evaluating wavefunction methods, the counterpoise correction, and the frozen core approximation for the optimization of van der Waals dimers
Caroline S Glick, Rameshwar L Kumawat, C David Sherrill
The Journal of Physical Chemistry. A
|
January 20, 2026
The Hydration of Trifluoroacetic Acid from 0 to 298 K
Walker J Smith, Caroline S Glick, George C Shields
Journal of Chemical Information and Modeling
|
June 17, 2025
SparcleQC: Automated Input File Creation for QM/MM Studies of Protein:Ligand Complexes
Caroline S Glick, Isabel P Berry, C David Sherrill
ACS Omega
|
June 23, 2025
Computational Exploration of the Ability of the 2‑Methyltetrols Produced from Photooxidation of Isoprene to Form Prenucleation Complexes
Conor J Bready, Alexandra E Sorescu, Caroline S Glick, et al.
The Journal of Chemical Physics
|
October 3, 2024
Electrostatically embedded symmetry-adapted perturbation theory
Caroline S Glick, Asem Alenaizan, Daniel L Cheney, et al.
Communications Chemistry
|
April 17, 2026
Space filling shapes the interaction networks in mixed pyrrole-benzene trimers and tetramers
Simon Lobsiger, Zbigniew Kisiel, Caroline S Glick, et al.
Chemical Science
|
August 26, 2024
A physics-aware neural network for protein-ligand interactions with quantum chemical accuracy
Zachary L Glick, Derek P Metcalf, Caroline S Glick, et al.
ACS Omega
|
January 8, 2026
Quantum Chemical Exploration of Fentanyl and Its Analogs: Conformational Landscapes and Energetics in Solution
Kimberlyn A McKnight, E Liyah Reed, Caroline S Glick, et al.
The Journal of Physical Chemistry. A
|
September 25, 2025
Reliable Structures and Electronic Energies of Small Water Clusters Using Density Functional and Local Correlation Coupled Cluster Model Chemistries
Benjamin T Petty, Vance R Fowler, Audrey Ryu, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
May 2, 2025
Evaluating wavefunction methods, the counterpoise correction, and the frozen core approximation for the optimization of van der Waals dimers
Caroline S Glick, Rameshwar L Kumawat, C David Sherrill
The Journal of Physical Chemistry. A
|
January 20, 2026
The Hydration of Trifluoroacetic Acid from 0 to 298 K
Walker J Smith, Caroline S Glick, George C Shields
Journal of Chemical Information and Modeling
|
June 17, 2025
SparcleQC: Automated Input File Creation for QM/MM Studies of Protein:Ligand Complexes
Caroline S Glick, Isabel P Berry, C David Sherrill
ACS Omega
|
June 23, 2025
Computational Exploration of the Ability of the 2‑Methyltetrols Produced from Photooxidation of Isoprene to Form Prenucleation Complexes
Conor J Bready, Alexandra E Sorescu, Caroline S Glick, et al.
The Journal of Chemical Physics
|
October 3, 2024
Electrostatically embedded symmetry-adapted perturbation theory
Caroline S Glick, Asem Alenaizan, Daniel L Cheney, et al.
Communications Chemistry
|
April 17, 2026
Space filling shapes the interaction networks in mixed pyrrole-benzene trimers and tetramers
Simon Lobsiger, Zbigniew Kisiel, Caroline S Glick, et al.
Chemical Science
|
August 26, 2024
A physics-aware neural network for protein-ligand interactions with quantum chemical accuracy
Zachary L Glick, Derek P Metcalf, Caroline S Glick, et al.
ACS Omega
|
January 8, 2026
Quantum Chemical Exploration of Fentanyl and Its Analogs: Conformational Landscapes and Energetics in Solution
Kimberlyn A McKnight, E Liyah Reed, Caroline S Glick, et al.
The Journal of Physical Chemistry. A
|
September 25, 2025
Reliable Structures and Electronic Energies of Small Water Clusters Using Density Functional and Local Correlation Coupled Cluster Model Chemistries
Benjamin T Petty, Vance R Fowler, Audrey Ryu, et al.
Page
of 1