Dennis R. Salahub

Orcid: 0000-0002-9848-3762

According to our database1, Dennis R. Salahub authored at least 10 papers between 1995 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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Bibliography

2023
GAMaterial - A genetic-algorithm software for material design and discovery.
J. Comput. Chem., 2023

2022
Radical pairs may explain reactive oxygen species-mediated effects of hypomagnetic field on neurogenesis.
PLoS Comput. Biol., 2022

Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon.
Comput., 2022

2011
Spin-driven activation of dioxygen in various metalloenzymes and their inspired models.
J. Comput. Chem., 2011

2010
The QM-MM interface for CHARMM-deMon.
J. Comput. Chem., 2010

2007
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with <i>ab initio</i> quantum mechanics calculations.
J. Comput. Chem., 2007

2004
Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study.
J. Comput. Chem., 2004

2003
A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleft.
J. Comput. Chem., 2003

1997
A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment.
J. Comput. Chem., 1997

1995
Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic Acid.
Comput. Chem., 1995


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