LCGTO MP LSD CALCULATIONS FOR THE DIATOMICS PDC, PDSI, PDGE, PDSN

[1] MODEL POTENTIAL CALCULATIONS FOR 2ND-ROW TRANSITION-METAL MOLECULES WITHIN THE LOCAL-SPIN-DENSITY METHOD [J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (09) : 4573 - 4580

[2] COMPACT BASIS-SETS FOR LCAO-LSD CALCULATIONS .1. METHOD AND BASES FOR SC TO ZN [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (06) : 520 - 532

[3] CHEMISORPTION OF CO ON PD(100) - AN LCGTO-LSD CLUSTER STUDY [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (05) : 1091 - 1104

[4] ANDZELM J, UNPUB

[5] HYDROGEN CHEMISORPTION ON, AND DIFFUSION THROUGH, PALLADIUM CLUSTERS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (04) : 1025 - 1032

[6] CORRELATION BETWEEN HYDROGENATION ACTIVITY AND AMOUNT OF ADSORBED HYDROGEN SPECIES ON RH-SN CATALYSTS [J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1985, (17) : 1197 - 1198

[7] CLARKE JKA, 1976, J CHEM SOC F1, P917

[8] CLEMENTI E, 1984, AT DATA NUCL DATA TA, V14, P232

[9] ELABD M, 1982, RCA REV, V4, P568

[10] Fraga S, 1971, ATOM DATA, V3, P323

[1] MODEL POTENTIAL CALCULATIONS FOR 2ND-ROW TRANSITION-METAL MOLECULES WITHIN THE LOCAL-SPIN-DENSITY METHOD [J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (09) : 4573 - 4580

[2] COMPACT BASIS-SETS FOR LCAO-LSD CALCULATIONS .1. METHOD AND BASES FOR SC TO ZN [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (06) : 520 - 532

[3] CHEMISORPTION OF CO ON PD(100) - AN LCGTO-LSD CLUSTER STUDY [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (05) : 1091 - 1104

[4] ANDZELM J, UNPUB

[5] HYDROGEN CHEMISORPTION ON, AND DIFFUSION THROUGH, PALLADIUM CLUSTERS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (04) : 1025 - 1032

[6] CORRELATION BETWEEN HYDROGENATION ACTIVITY AND AMOUNT OF ADSORBED HYDROGEN SPECIES ON RH-SN CATALYSTS [J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1985, (17) : 1197 - 1198

[7] CLARKE JKA, 1976, J CHEM SOC F1, P917

[8] CLEMENTI E, 1984, AT DATA NUCL DATA TA, V14, P232

[9] ELABD M, 1982, RCA REV, V4, P568

[10] Fraga S, 1971, ATOM DATA, V3, P323