Browsing by Author Pejov, LJupcho

Showing results 1 to 20 of 20
PreviewTitleAuthor(s)Issue DateType
Average Vibrational Potentials of Oscillators in Condensed-matter Environments using HadoopKoteska, Bojana ; Pejov, LJupcho ; Mishev, Anastas 2014Proceeding article
Comparative Study of Two Approaches for Solving the Torsional Schrödinger Equation: Fourier Grid Hamiltonian Method and Hamiltonian Diagonalization MethodKoteska, Bojana ; Mishev, Anastas ; Pejov, LJupcho 2015Proceeding article
Computational approach towards vibrational spectroscopic detection of molecular species relevant to atmospheric chemistry and climate science: The formic acid rotamersKoteska, Bojana ; Mishev, Anastas ; Pejov, Ljupcho Jul-2017
Computational study of intramolecular oh stretching vibrations in the two rotamers of free formic acidKoteska, Bojana ; Mishev, Anastas ; Pejov, Ljupco 2018Article
Dataset for complete trajectories from ADMP DFTBA MD simulations of formic acid starting from the minima corresponding to cis and trans conformers at series of different temperaturesPejov, LJupcho ; Koteska, Bojana ; Mishev, Anastas Dec-2020Dataset
Dynamic versus Static Approach to Theoretical Anharmonic Vibrational Spectroscopy of Molecular Species Elevant to Atmospheric Chemistry: A Case Study of Formic AcidKoteska, Bojana ; Manevska, Verce; Mishev, Anastas ; Pejov, Ljupco 10-May-2018Article
Finite-Temperature Single Molecule Vibrational Dynamics from Combined Density Functional Tight Binding Extended Lagrangian Dynamics Simulations and Time Series AnalysisKoteska, Bojana ; Mishev, Anastas ; Pejov, LJupcho 31-Dec-2020Article
Formal Specification of Scientific Applications Using Interval Temporal LogicKoteska, Bojana ; Pejov, LJupcho ; Mishev, Anastas 2014Proceeding article
Framework for Developing Scientific Applications: Solving 1D and 2D Schrödinger Equation by using Discrete Variable Representation MethodKoteska, Bojana ; Pejov, LJupcho ; Mishev, Anastas 2015Proceeding article
Isotropic Magnetic Shielding of Al(OH) − 4 in Aqueous Solution: A Hybrid Monte Carlo - Quantum Mechanical Computational ModelKoteska, Bojana ; Mishev, Anastas ; Pejov, LJupcho 2016
Magnetic Response Properties of Aqueous Aluminum(III) Ion: A Hybrid Statistical Physics Quantum Mechanical Approach Implementing the Map-Reduce Computational TechniqueKoteska, Bojana ; Mishev, Anastas ; Pejov, LJupcho 2015
On the Choice of Method for Solution of the Vibrational Schrödinger Equation in Hybrid Statistical Physics - Quantum Mechanical Modeling of Molecular SolvationKoteska, Bojana ; Sahpaski, Dragan; Mishev, Anastas ; Pejov, Ljupcho 2014
Pharmaceutical Software Quality Assurance System ArchitectureKoteska, Bojana ; Pejov, LJupcho ; Mishev, Anastas 2016Proceeding article
Quantitative Measurement of Scientific Software Quality: Definition of a Novel Quality ModelKoteska, Bojana ; Mishev, Anastas ; Pejov, Ljupco Mar-2018Article
Quantum Vibrational Dynamics of Molecular Species Relevant to Atmospheric Chemistry and ClimateScience. Formic Acid and its Clusters with BenzeneManevska, Verce; Koteska, Bojana ; Mishev, Anastas ; Pejov, LJupcho 2016Proceeding article
A Robust Hybrid Statistical Physics-Quantum Chemical Approach to Magnetic Properties of Complex Aqueous Aluminimum(III) Species: Implementation on HPC EnvironmentKoteska, Bojana ; Pejov, LJupcho ; Mishev, Anastas 2015Proceeding article
Schrödinger API - web service for solving multidimensional time-independent Schrödinger equation using Hermite DVR approachKoteska, Bojana ; Pejov, LJupcho ; Mishev, Anastas 2021Proceeding article
Scientific Software Testing: A Practical ExampleKoteska, Bojana ; Pejov, LJupcho ; Mishev, Anastas 2015Proceeding article
Semiempirical Atom-centered Density Matrix Propagation Approach to Temperature-dependent Vibrational Spectroscopy of IrinotecanKoteska, Bojana ; Simonoska crcarevska, Maja ; Glavas Dodov, Marija ; Tonikj ribarska, Jasmina ; Pejov, LJupcho 10-May-2018
Software Engineering Solutions for Improving the Regression Testing Methods in Scientific Applications DevelopmentKoteska, Bojana ; Pejov, LJupcho ; Mishev, Anastas 2013Proceeding article