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Publications in Theoretical Chemistry

CO2Capture by Metal–Organic Frameworks With Van Der Waals Density Functionals

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2012English

A Computational Analysis of the Binding Model of MDM2 With Inhibitors

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2010English

Correction to “Projective Method for the Calculation of Excited-State Electronic Coupling: Isolating Charge Transfer/Recombination Processes in Organic Photovoltaics”

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2020English

Chemical and Protein Structural Basis for Biological Crosstalk Between PPARα and COX Enzymes

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2014English

Dynamic Clustering Threshold Reduces Conformer Ensemble Size While Maintaining a Biologically Relevant Ensemble

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2010English

Molecular Dynamics Simulations on the Effect of Size and Shape on the Interactions Between Negative Au18(SR)14, Au102(SR)44 and Au144(SR)60 Nanoparticles in Physiological Saline

Colloids and Surfaces A: Physicochemical and Engineering Aspects
SurfacesColloidInterfacesTheoretical ChemistrySurface ChemistryPhysical
2016English

Exploring the Rich Energy Landscape of Sulfate–Water Clusters SO42–(H2O)n=3–7: An Electronic Structure Approach

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2011English

Issue Editorial Masthead

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2019English

Issue Publication Information

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2019English

Isomeric Product Detection in the Heterogeneous Reaction of Hydroxyl Radicals With Aerosol Composed of Branched and Linear Unsaturated Organic Molecules

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2014English

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