NEW METHOD FOR COMPUTING VIBRATIONAL FORCE CONSTANTS

[1] PROGRAMME FOR NORMAL CO-ORDINATE CALCULATIONS - VIBRATIONAL ANALYSIS OF DIBORANE AND HALIDES M2X6 (M=A1, GA, OR IN) [J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1970, (05): : 697 - &

[2] MACHINE COMPUTATION OF FORCE CONSTANTS .I. PROBLEMS OF CONVERGENCE AND DEGREE OF INDETERMINACY OF COMPUTED BEST-FIT VALUES [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1967, A 23 (01): : 175 - &

[3] FLETCHER R, 1966, COMMUN ACM, V9, P686, DOI 10.1145/365813.365833

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

[5] FLETCHER R, 1969, OPTIMIZATION, P1

[6] Force constant computations, Part 1: Extremal force constant relationships in the general secular equations for molecular vibrations [J]. CHEMICAL PHYSICS LETTERS, 1970, 6 (06) : 561 - 562

[7] FORCE CONSTANT CALCULATIONS .1. THEORY AND PROCEDURE [J]. SPECTROCHIMICA ACTA, 1963, 19 (06): : 937 - 949

[8] IMPROVING CONVERGENCE IN FORCE FIELD CALCULATIONS [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1968, A 24 (03): : 300 - &

[9] TRANSFERABILITY OF UREY-BRADLEY FORCE CONSTANTS .1. CALCULATION OF FORCE CONSTANTS ON A DIGITAL COMPUTER [J]. JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (05) : 1289 - 1295

[10] CALCULATION OF QUADRATIC MOLECULAR POTENTIAL CONSTANTS BY METHOD OF DAMPED LEAST SQUARES [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1965, 15 (04) : 502 - &

[1] PROGRAMME FOR NORMAL CO-ORDINATE CALCULATIONS - VIBRATIONAL ANALYSIS OF DIBORANE AND HALIDES M2X6 (M=A1, GA, OR IN) [J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1970, (05): : 697 - &

[2] MACHINE COMPUTATION OF FORCE CONSTANTS .I. PROBLEMS OF CONVERGENCE AND DEGREE OF INDETERMINACY OF COMPUTED BEST-FIT VALUES [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1967, A 23 (01): : 175 - &

[3] FLETCHER R, 1966, COMMUN ACM, V9, P686, DOI 10.1145/365813.365833

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

[5] FLETCHER R, 1969, OPTIMIZATION, P1

[6] Force constant computations, Part 1: Extremal force constant relationships in the general secular equations for molecular vibrations [J]. CHEMICAL PHYSICS LETTERS, 1970, 6 (06) : 561 - 562

[7] FORCE CONSTANT CALCULATIONS .1. THEORY AND PROCEDURE [J]. SPECTROCHIMICA ACTA, 1963, 19 (06): : 937 - 949

[8] IMPROVING CONVERGENCE IN FORCE FIELD CALCULATIONS [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1968, A 24 (03): : 300 - &

[9] TRANSFERABILITY OF UREY-BRADLEY FORCE CONSTANTS .1. CALCULATION OF FORCE CONSTANTS ON A DIGITAL COMPUTER [J]. JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (05) : 1289 - 1295

[10] CALCULATION OF QUADRATIC MOLECULAR POTENTIAL CONSTANTS BY METHOD OF DAMPED LEAST SQUARES [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1965, 15 (04) : 502 - &