The Electronegativity Equalization Method I : parametrization and validation for atomic charge calculations

P. Bultinck, Wilfried Langenaeker, Philippe Lahorte, Frank De Proft, Paul Geerlings, Michel Waroquier

Onderzoeksoutput: Article › peer review

141 Citaten (Scopus)

J. Phys. Chem., A106, 7887-7894, 2002

Handle.net

@article{78fec96c420243f1b89b4320ee743e47,

title = "The Electronegativity Equalization Method I : parametrization and validation for atomic charge calculations",

author = "P. Bultinck and Wilfried Langenaeker and Philippe Lahorte and {De Proft}, Frank and Paul Geerlings and Michel Waroquier",

note = "J. Phys. Chem., A106, 7887-7894, 2002",

year = "2002",

language = "English",

journal = "Unknown Journal",

}

TY - JOUR

T1 - The Electronegativity Equalization Method I : parametrization and validation for atomic charge calculations

AU - Bultinck, P.

AU - Langenaeker, Wilfried

AU - Lahorte, Philippe

AU - De Proft, Frank

AU - Geerlings, Paul

AU - Waroquier, Michel

N1 - J. Phys. Chem., A106, 7887-7894, 2002

PY - 2002

Y1 - 2002

M3 - Article

JO - Unknown Journal

JF - Unknown Journal

ER -