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Publications in Theoretical Chemistry

High Accuracy Ab Initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System

Journal of Physical Chemistry A

Theoretical Chemistry

English

Using Surface Evolver to Measure Pressures and Energies of Real 2D Foams Submitted to Quasi-Static Deformations

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Theoretical Chemistry

Surface Chemistry

English

Electronic Properties of Sulfur Covered Ru(0001) Surfaces

Journal of Physical Chemistry A

Theoretical Chemistry

English

Docking Rigid Macrocycles Using Convex-Pl, AutoDock Vina, and RDKit in the D3R Grand Challenge 4

Journal of Computer-Aided Molecular Design

Theoretical Chemistry

Computer Science Applications

English

Study and Comparison of Different Drying Processes for Dehydration of Raspberries

Drying Technology

Theoretical Chemistry

Chemical Engineering

English

Transport and Thermal Properties of Quaternary Phosphonium Ionic Liquids and IoNanofluids

Journal of Chemical Thermodynamics

Materials Science

Molecular Physics,

Theoretical Chemistry

English

Quantum-Mechanical Study of Lead Coordination in Sulfur-Rich Proteins: Mode and Structure Recognition in UV Resonance Raman Spectra

Journal of Physical Chemistry A

Theoretical Chemistry

English

Chemical Equilibria and Kinetics in Aqueous Solutions of Zymonic Acid

Journal of Physical Chemistry A

Theoretical Chemistry

English

High-Temperature, High-Pressure Viscosities and Densities of Toluene

Journal of Chemical Thermodynamics

Materials Science

Molecular Physics,

Theoretical Chemistry

English

Microwave Plasma-Activated Chemical Vapor Deposition of Nitrogen-Doped Diamond. II: CH4/N2/H2 Plasmas

Journal of Physical Chemistry A

Theoretical Chemistry

English