Accurate Hellmann–Feynman forces from density functional calculations with augmented Gaussian basis sets von Pathak, Shivesh, López, Ignacio Ema, Lee, Alex J., Bricker, William P., Fernández, Rafael López, Lehtola, Susi, Rackers, Joshua A.

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Serially improved GTOs for molecular applications (SIGMA): Basis sets from H to Ne von Ema López, Ignacio, Ramírez Moreno, Guillermo, López Fernández, Rafael, García de la Vega, José Manuel

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Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets von Pathak, Shivesh, Ignacio Ema López, Lee, Alex J, Bricker, William P, Rafael López Fernández, Lehtola, Susi, Rackers, Joshua A

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Results of a Hepatitis C Micro-Elimination Program in Two Addiction Centers Among Subjects With Substance Use Disorder von Vega-Astudillo, Pablo, Basurte-Villamor, Ignacio, De Ema López, Inés, Olmos Espinos, Ruth, Mesías-Pérez, Beatriz, Szerman, Nestor

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DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems von Kumar, Anmol, López, Rafael, Martínez, Frank, Ramírez, Guillermo, Ema, Ignacio, Zorrilla, David, Yeole, Sachin D., Gadre, Shridhar R.

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Generation of Basis Sets for Accurate Molecular Calculations: Application to Helium Atom and Dimer von Ema, Ignacio, Ramírez, Guillermo, López, Rafael, García de la Vega, José Manuel

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Study of the stabilization of zinc phthalocyanine in sol-gel TiO2 for photodynamic therapy applications von Lopez, Tessy, PhD, Ortiz, Ema, PhD, Alvarez, Mayra, PhD, Navarrete, Juan, PhD, Odriozola, Jose A., PhD, Martinez-Ortega, Fernando, PhD, Páez-Mozo, Edgar A., PhD, Escobar, Patricia, PhD, Espinoza, Karla A., PhD, Rivero, Ignacio A., PhD

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DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules von Kumar, Anmol, Yeole, Sachin D., Gadre, Shridhar R., López, Rafael, Rico, Jaime F., Ramírez, Guillermo, Ema, Ignacio, Zorrilla, David

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Topology of molecular electron density and electrostatic potential with DAMQT von López, Rafael, Rico, Jaime Fernández, Ramírez, Guillermo, Ema, Ignacio, Zorrilla, David, Kumar, Anmol, Yeole, Sachin D., Gadre, Shridhar R.

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The Challenge of ab Initio Calculations in Small Neon Clusters von Ema, Ignacio, Ramírez, Guillermo, López, Rafael, San Fabián, Jesús, García de la Vega, José M.

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DAMQT 2.0: A new version of the DAMQT package for the analysis of electron density in molecules von López, Rafael, Rico, Jaime Fernández, Ramírez, Guillermo, Ema, Ignacio, Zorrilla, David

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Repulsion integrals involving Slater-type functions and Yukawa potential von Rico, Jaime Fernández, López, Rafael, Ramírez, Guillermo, Ema, Ignacio

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Nuclear cusp conditions and their fulfillment in molecular calculations with SLATER basis sets von Fernández Rico, Jaime, López, Rafael, Ema, Ignacio, Ramírez, Guillermo

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Translation of real solid spherical harmonics von Rico, Jaime Fernández, López, Rafael, Ema, Ignacio, Ramírez, Guillermo

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Improved partition-expansion of two-center distributions involving slater functions von López, Rafael, Ramírez, Guillermo, Ema, Ignacio, Rico, Jaime Fernández

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Multipole moments from the partition–expansion method von López, Rafael, Ramírez, Guillermo, Fernández, Julio, Ema, Ignacio, Rico, Jaime Fernández

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DAMQT: A package for the analysis of electron density in molecules von López, Rafael, Rico, Jaime Fernández, Ramírez, Guillermo, Ema, Ignacio, Zorrilla, David

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A note on atomic density von Ramírez, Guillermo, López, Rafael, Ema, Ignacio, Fernández Rico, Jaime

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Direct calculation of the Coulomb matrix: Slater-type orbitals von Ema, Ignacio, López, Rafael, Ramírez, Guillermo, Rico, Jaime Fernández

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Chemical Notions from the Electron Density von Rico, Jaime Fernández, López, Rafael, Ema, Ignacio, Ramírez, Guillermo

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