ATOMIC CHARGES DERIVED FROM ELECTROSTATIC POTENTIALS - A DETAILED STUDY

[1] PARTITIONING AND CHARACTERIZATION OF MOLECULAR CHARGE DISTRIBUTIONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (13) : 3095 - +

[2] Binkley J. S, 1982, GAUSSIAN 82

[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947

[4] EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (18) : 5609 - 5612

[5] CHIRLIAN LE, 1987, QCPE B, V7, P39

[6] REPRESENTATION OF THE MOLECULAR ELECTROSTATIC POTENTIAL BY A NET ATOMIC CHARGE MODEL [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (03) : 304 - 323

[7] GOTTFRIED BS, 1973, INTRO OPTIMIZATION T, P43

[8] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J]. THEORETICA CHIMICA ACTA, 1973, 28 (03): : 213 - 222

[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +

[10] BONDED-ATOM FRAGMENTS FOR DESCRIBING MOLECULAR CHARGE-DENSITIES [J]. THEORETICA CHIMICA ACTA, 1977, 44 (02): : 129 - 138

[1] PARTITIONING AND CHARACTERIZATION OF MOLECULAR CHARGE DISTRIBUTIONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (13) : 3095 - +

[2] Binkley J. S, 1982, GAUSSIAN 82

[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947

[4] EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (18) : 5609 - 5612

[5] CHIRLIAN LE, 1987, QCPE B, V7, P39

[6] REPRESENTATION OF THE MOLECULAR ELECTROSTATIC POTENTIAL BY A NET ATOMIC CHARGE MODEL [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (03) : 304 - 323

[7] GOTTFRIED BS, 1973, INTRO OPTIMIZATION T, P43

[8] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J]. THEORETICA CHIMICA ACTA, 1973, 28 (03): : 213 - 222

[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +

[10] BONDED-ATOM FRAGMENTS FOR DESCRIBING MOLECULAR CHARGE-DENSITIES [J]. THEORETICA CHIMICA ACTA, 1977, 44 (02): : 129 - 138