AN APPROACH TO COMPUTING ELECTROSTATIC CHARGES FOR MOLECULES

[1] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) : 8127 - 8134

[2] CALCULATION OF LINE WIDTHS IN H2O-N2 COLLISIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (02) : 388 - 399

[3] BINKLEY JS, 1980, GAUSSIAN 80

[4] BLOOMFIELD VA, 1974, PHYSICAL CHEM NUCLEI

[5] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .10. GROUND STATE FOR ADENINE, CYTOSINE, GUANINE AND THYAMINE [J]. ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1969, 27 (1-4): : 493 - &

[6] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) : 1077 - &

[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) : 5142 - 5151

[8] CONNOLLY ML, 1982, QUANTUM CHEM PROGRAM

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

[10] ENERGY PARAMETERS IN POLYPEPTIDES .8. EMPIRICAL POTENTIAL-ENERGY ALGORITHM FOR CONFORMATIONAL-ANALYSIS OF LARGE MOLECULES [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1978, 82 (24) : 2609 - 2616

[1] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) : 8127 - 8134

[2] CALCULATION OF LINE WIDTHS IN H2O-N2 COLLISIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (02) : 388 - 399

[3] BINKLEY JS, 1980, GAUSSIAN 80

[4] BLOOMFIELD VA, 1974, PHYSICAL CHEM NUCLEI

[5] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .10. GROUND STATE FOR ADENINE, CYTOSINE, GUANINE AND THYAMINE [J]. ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1969, 27 (1-4): : 493 - &

[6] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) : 1077 - &

[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) : 5142 - 5151

[8] CONNOLLY ML, 1982, QUANTUM CHEM PROGRAM

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

[10] ENERGY PARAMETERS IN POLYPEPTIDES .8. EMPIRICAL POTENTIAL-ENERGY ALGORITHM FOR CONFORMATIONAL-ANALYSIS OF LARGE MOLECULES [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1978, 82 (24) : 2609 - 2616