REPRESENTATION OF THE MOLECULAR ELECTROSTATIC POTENTIAL BY A NET ATOMIC CHARGE MODEL

[1] ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .1. DERIVATION OF A CONSISTENT FORCE-FIELD INCLUDING HYDROGEN-BOND FROM AMIDE CRYSTALS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (17) : 5319 - 5327

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

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

[4] ELECTROSTATIC TERM IN LATTICE-ENERGY CALCULATIONS - C2H2, CO2, AND C2N2 [J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1979, 35 (MAY): : 366 - 370

[5] ANALYSIS OF CHARGE DISTRIBUTIONS - HYDROGEN FLUORIDE [J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (05) : 1374 - +

[6] CONSISTENT FORCE-FIELD STUDIES OF INTER-MOLECULAR FORCES IN HYDROGEN-BONDED CRYSTALS .1. CARBOXYLIC-ACIDS, AMIDES, AND THE C=O...H- HYDROGEN-BONDS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (18) : 5111 - 5121

[7] MARSH PR, UNPUBLISHED

[8] DETERMINATION OF PARTIAL ATOMIC CHARGES FROM ABINITIO MOLECULAR ELECTROSTATIC POTENTIALS - APPLICATION TO FORMAMIDE, METHANOL, AND FORMIC-ACID [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1978, 82 (05) : 592 - 601

[9] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840

[10] Scrocco E., 1978, ADV QUANTUM CHEM, V11, P115, DOI 10.1016/S0065-3276(08)60236-1

[1] ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .1. DERIVATION OF A CONSISTENT FORCE-FIELD INCLUDING HYDROGEN-BOND FROM AMIDE CRYSTALS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (17) : 5319 - 5327

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

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

[4] ELECTROSTATIC TERM IN LATTICE-ENERGY CALCULATIONS - C2H2, CO2, AND C2N2 [J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1979, 35 (MAY): : 366 - 370

[5] ANALYSIS OF CHARGE DISTRIBUTIONS - HYDROGEN FLUORIDE [J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (05) : 1374 - +

[6] CONSISTENT FORCE-FIELD STUDIES OF INTER-MOLECULAR FORCES IN HYDROGEN-BONDED CRYSTALS .1. CARBOXYLIC-ACIDS, AMIDES, AND THE C=O...H- HYDROGEN-BONDS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (18) : 5111 - 5121

[7] MARSH PR, UNPUBLISHED

[8] DETERMINATION OF PARTIAL ATOMIC CHARGES FROM ABINITIO MOLECULAR ELECTROSTATIC POTENTIALS - APPLICATION TO FORMAMIDE, METHANOL, AND FORMIC-ACID [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1978, 82 (05) : 592 - 601

[9] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840

[10] Scrocco E., 1978, ADV QUANTUM CHEM, V11, P115, DOI 10.1016/S0065-3276(08)60236-1