Journal of Computational Methods in Sciences and Engineering

AIM-UC: An application for QTAIM analysis

David Vega, Danilo B. T. Almeida · 2014 · 91 citations

Natural Sciences, Chemistry, Physics +17

Computational aspects of electric polarizability calculations: Atoms, molecules and clusters

George Maroulis · 2004 · 77 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

On the Construction of Exponentially-Fitted Methods for the Numerical Solution of the Schrödinger Equation

Avrilia Konguetsof, Theodore E. Simos · 2001 · 39 citations

Natural Sciences, Physics, Computational Physics +11

Assessment of various density functionals and solvation models to describe acid-base, spectral and complexing properties of thiobarbituric and barbituric acids in aqueous solution

Maxim A. Lutoshkin, Аleksandr S. Kazachenko · 2017 · 37 citations

Natural Sciences, Chemistry, Physics +17

AvatarSim: A multi-agent system for emergency evacuation simulation

Sharad Sharma · 2009 · 36 citations

Planning, Emergency Planning, Emergency Preparedness +15