I. Ema

发表

Multipole moments from the partition–expansion method

J. Rico, R. López, G. Ramírez, 2013, Theoretical Chemistry Accounts.

Translation of real solid spherical harmonics

J. Rico, R. López, G. Ramírez, 2013 .

Repulsion integrals involving Slater-type functions and Yukawa potential

J. Rico, R. López, G. Ramírez, 2012, Theoretical Chemistry Accounts.

An improved program for molecular calculations with B functions

Herbert H. H. Homeier, E. Steinborn, J. Rico, 1999 .

Three-center Coulomb repulsion integrals with Slater functions

J. Rico, R. López, G. Ramírez, 2008 .

A note on atomic density

J. Rico, R. López, G. Ramírez, 2013 .

Sigma basis sets: a new family of GTO basis sets for molecular calculations

I. Ema, Guillermo Ram'irez, Rafael L'opez, 2022, 2207.02782.

Additivity and transferability of exchange energy

J. Rico, R. López, G. Ramírez, 2009 .

Searching conformational analysis of Asp residues through theoretical 3 J vicinal coupling constants and Karplus equations

J. M. García de la Vega, J. San Fabián, I. Ema, 2022, International Journal of Quantum Chemistry.

Generation of Basis Sets for Accurate Molecular Calculations: Application to Helium Atom and Dimer

R. López, G. Ramírez, J. M. D. L. Vega, 2022, Comput..

Nuclear cusp conditions and their fulfillment in molecular calculations with SLATER basis sets

J. Rico, R. López, G. Ramírez, 2014 .

Molecular calculations with B functions

Herbert H. H. Homeier, Spain, H Germany, 1998, physics/9812049.

Electric field integrals for Slater-type orbitals

J. Rico, R. López, G. Ramírez, 2004 .

Four-center integrals for Gaussian and exponential functions

J. Fernández, J. Rico, R. López, 2001 .

DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems

S. Yeole, R. López, G. Ramírez, 2022, Comput. Phys. Commun..

Polarized basis sets of Slater‐type orbitals: H to Ne atoms

Rafael López, Jaime Fernández Rico, Guillermo Ramírez, 2003, J. Comput. Chem..

Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation

Ignacio Ema, J. M. García de la Vega, Jesús San Fabián, 2021, J. Chem. Inf. Model..

Deformed atoms in molecules: analytical representation of atomic densities for Gaussian type orbitals

R. López, G. Ramírez, I. Ema, 2005 .

Reference program for molecular calculations with Slater‐type orbitals

J. Fernández Rico, R. López, A. Aguado, 1998 .

Chemical forces in terms of the electron density

R. López, G. Ramírez, I. Ema, 2007 .

Chemical Notions from the Electron Density.

R. López, G. Ramírez, I. Ema, 2005, Journal of chemical theory and computation.

Efficient Evaluation of Molecular Electrostatic Potential in Large Systems

Rafael López, Guillermo Ramírez, José M. García de la Vega, 2019, Comput..

Master formulas for two‐ and three‐center one‐electron integrals involving Cartesian GTO, STO, and BTO

I. Ema, J. Fernndez Rico, J. J. Fernndez, 2000 .

Calculation of many-centre two-electron molecular integrals with STO

Guillermo Ramírez, I. Ema, J. Fernández Rico, 1997 .

Translation of STO charge distributions

Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, 2005, J. Comput. Chem..

Efficiency of the algorithms for the calculation of Slater molecular integrals in polyatomic molecules

I. Ema, R. López, R. López, 2004, J. Comput. Chem..

Topology of molecular electron density and electrostatic potential with DAMQT

Shridhar R. Gadre, Anmol Kumar, Rafael López, 2017, Comput. Phys. Commun..

EXPONENTIAL-TYPE BASIS FUNCTIONS: SINGLE- AND DOUBLE-ZETA B FUNCTION BASIS SETS FOR THE GROUND STATES OF NEUTRAL ATOMS FROM Z = 2 TO Z = 36

E. Steinborn, B. Miguel, J. D. L. Vega, 1999 .

Multiple one-center expansions of charge distributions associated with Slater orbitals 1 Dedicated t

R. López, I. Ema, J. F. Rico, 1998 .

Correspondence between GTO and STO molecular basis sets

Rafael López, Jaime Fernández Rico, Guillermo Ramírez, 2001, J. Comput. Chem..

Analytical method for the representation of atoms‐in‐molecules densities

Rafael López, Jaime Fernández Rico, Guillermo Ramírez, 2004, J. Comput. Chem..

Auxiliary functions for molecular integrals with Slater‐type orbitals. II. Gauss transform methods

J. Fernández, R. López, G. Ramírez, 2008 .

Auxiliary functions for molecular integrals with Slater-type orbitals. I. Translation methods

J. Fernández, R. López, G. Ramírez, 2006 .

Analysis of the molecular density: STO densities

R. López, G. Ramírez, I. Ema, 2002 .

New program for molecular calculations with Slater‐type orbitals

A. Aguado, R. López, G. Ramírez, 2001 .

Reference program for molecular calculations with Slater-type orbitals

A. Aguado, Rafael López, Jaime Fernández Rico, 1998, J. Comput. Chem..

Density and binding forces in diatomics

R. López, G. Ramírez, I. Ema, 2002 .

DAMQT: A package for the analysis of electron density in molecules

Rafael López, Jaime Fernández Rico, Guillermo Ramírez, 2009, Comput. Phys. Commun..

Generation of basis sets with high degree of fulfillment of the Hellmann‐Feynman theorem

Rafael López, Jaime Fernández Rico, Guillermo Ramírez, 2007, J. Comput. Chem..

Accuracy of the electrostatic theorem for high‐quality Slater and Gaussian basis sets

R. López, G. Ramírez, I. Ema, 2004 .

Density and binding forces: Rotational barrier of ethane

R. López, G. Ramírez, I. Ema, 2003 .

DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules

Anmol Kumar, Guillermo Ramírez, Ignacio Ema, 2015, J. Comput. Chem..

A direct generalized Bloch approach: ground and excited states of C2

I. Ema, H. Meissner, 2001 .