NEW ALGORITHM FOR MOLECULAR-GEOMETRY OPTIMIZATION WITH ILLUSTRATIVE APPLICATION TO METHYLAMINE

[1] [Anonymous], 1968, ADV PHYS ORG CHEM

[2] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1285 - 1293

[3] CHRISTOFFERSEN RE, 1973, J AM CHEM SOC, V95, P8526, DOI 10.1021/ja00807a005

[4] DEWAR MJS, IN PRESS

[5] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &

[6] GARTON D, 1974, THEORETICAL CHEMISTR, V1

[7] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - ELECTRONIC AND GEOMETRIC CHARACTERIZATION OF ACETYLCHOLINE [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) : 362 - 368

[8] HILDEBRAND FB, 1965, METHODS APPLIED MATH

[9] HURLEY AC, 1964, MOLECULAR ORBITALS C, P161

[10] LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175

[1] [Anonymous], 1968, ADV PHYS ORG CHEM

[2] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1285 - 1293

[3] CHRISTOFFERSEN RE, 1973, J AM CHEM SOC, V95, P8526, DOI 10.1021/ja00807a005

[4] DEWAR MJS, IN PRESS

[5] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &

[6] GARTON D, 1974, THEORETICAL CHEMISTR, V1

[7] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - ELECTRONIC AND GEOMETRIC CHARACTERIZATION OF ACETYLCHOLINE [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) : 362 - 368

[8] HILDEBRAND FB, 1965, METHODS APPLIED MATH

[9] HURLEY AC, 1964, MOLECULAR ORBITALS C, P161

[10] LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175