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Thermokinetic Description of the Heat Capacity Change at the Glass Transition: 1. Can Glass Transition Kinetics Be Adequately Described by a Single Activation Energy? 2. Can the Glass Transition Temperature Be Predicted from Basic Physical Parameters? 3. What is the Role of Heat Capacity in the Vogel-Fulcher-Tammann Equation Describing Primary Relaxation in Glasses?

Today by Peter Skrdla at

Villanova University

Physical Chemistry, Materials Science

Probing the Meaning of the Constant B in the Vogel-Fulcher- Tammann Equation Describing Primary Relaxation in Fragile Glass-Forming Liquids: Case Study of Aspirin

2 December 2025 by Peter Skrdla at

Villanova University

Physical Chemistry, Materials Science

Isothermal and Non-Isothermal Measurements Can Yield Different Activation Energies From Thermal Analysis

6 October 2025 by Peter Skrdla at

Villanova University

Physical Chemistry, Analytical Chemistry

Molecular Dynamics Insights into Ibuprofen Nanocrystal Dissolution Put in the Context of Classical Nucleation Theory

6 October 2025 by Peter Skrdla and others

Physical Chemistry, Nanoscience

Kinetics of Polymorphic Phase Transformations of o-Aminobenzoic Acid: Derivation and Application of Exact and Approximate Dispersive Kinetic Models Plus Molecular Dynamics Simulation of Pre-Nucleation Aggregates

26 March 2025 by Peter Skrdla and others at

Villanova University

Materials Science, Nanoscience

Isoconversional Methods of Thermal Analysis are Incompatible with Turnbull-Fisher Kinetics: Case Study of Crystallization of Piperine from the Melt

3 February 2025 by Peter Skrdla and Peter Simon at

Villanova University

Physical Chemistry, Materials Science

Possible Applications of the Polli Dissolution Mechanism: A Case Study Using Molecular Dynamics Simulation of Bupivacaine

20 November 2024 by Peter Skrdla and others at

Villanova University

Theoretical and Computational Chemistry, Physical Chemistry

A Robust Crystal Structure Prediction Method to Support Small Molecule Drug Development with Large Scale Validation and Prospective Studies

12 August 2024 by Dong Zhou and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

A Robust Crystal Structure Prediction Method to Support Small Molecule Drug Development with Large Scale Validation and Prospective Studies

11 January 2024 by Dong Zhou and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Topics

Theoretical and Computational Chemistry Biological and Medicinal Chemistry Organic Chemistry Drug Discovery and Drug Delivery Systems Computational Chemistry and Modeling Crystallography – Organic