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Combining Multiconfigurational Wave Functions with Density Functional Estimates of Dynamic Electron CorrelationMalcolm, Nathaniel O. J.; McDouall, Joseph J. W. · The Journal of Physical Chemistry · 1996
Combining two-body density correlation functionals with multiconfigurational wave functions using natural orbitals and occupation numbersPérez-Jiménez, Ángel J.; Pérez-Jordá, José M.; Sancho-García, Juan C. · The Journal of Chemical Physics · 2007
Combining multiconfigurational wave functions with correlation density functionals: A size-consistent method based on natural orbitals and occupation numbersPérez-Jiménez, Ángel J.; Pérez-Jordá, José M. · Physical Review A · 2007
Dynamic Electron Correlation: A Fragments-in-Molecules ApproachMalcolm, Nathaniel O. J.; McDouall, Joseph J. W. · The Journal of Physical Chemistry · 1994
Electronic structure and molecular dynamics of Na2LiMALCOLM, NATHANIEL O. J.; MCDOUALL, JOSEPH J. W. · Molecular Physics · 1997
Chiroptical Spectroscopy of SurfactantsPolavarapu, Prasad L.; Vijay, R. · The Journal of Physical Chemistry A · 2012
Vibrational Analysis of UreaKeuleers, R.; Desseyn, H. O.; Rousseau, B.; Van Alsenoy, C. · The Journal of Physical Chemistry A · 1999
Molecular Structure of ThioureaPuzzarini, Cristina · The Journal of Physical Chemistry A · 2012
Asphaltene Molecular Size and StructureGroenzin, Henning; Mullins, Oliver C. · The Journal of Physical Chemistry A · 1999
Blue-Shifting Hydrogen BondsHermansson, Kersti · The Journal of Physical Chemistry A · 2002
Electronegativity: Chemical Hardness IReed, James L. · The Journal of Physical Chemistry A · 1997
Electronegativity: Chemical Hardness IIReed, James L. · The Journal of Physical Chemistry A · 1997
Demystifying an Electrochemical OscillatorRudolph, Manfred; Hromadova, Magdalena; de Levie, Robert · The Journal of Physical Chemistry A · 1998