NON-EMPIRICAL QUANTUM-MECHANICAL CALCULATIONS ON PENTASIL-TYPE ZEOLITES

[1] QUANTUM CHEMICAL STUDY OF THE PHYSICAL CHARACTERISTICS OF THE HYDROXY-GROUPS OF ZEOLITES .3. [J]. REACTION KINETICS AND CATALYSIS LETTERS, 1980, 13 (02): : 151 - 154

[2] BERAN S, 1979, J PHYS CHEM-US, V83, P19

[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947

[4] 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

[5] DEROUANE EG, UNPUB

[6] DUBSKY J, 1979, 4TH P INT S HET CAT, V2, P421

[7] GORDON MS, UNPUB J AM CHEM SOC

[8] QUANTUM CHEMICAL STUDY OF CATALYTIC ISOMERIZATION OF OLEFINS .1. ALLYLIC INTERMEDIATE IN PRESENCE OF A BASE [J]. JOURNAL OF CATALYSIS, 1977, 47 (01) : 55 - 61

[9] HASS EC, 1981, J MOL STRUCT, V76, P389

[10] HASS EC, 1982, J MOL STRUC-THEOCHEM, V87, P261

[1] QUANTUM CHEMICAL STUDY OF THE PHYSICAL CHARACTERISTICS OF THE HYDROXY-GROUPS OF ZEOLITES .3. [J]. REACTION KINETICS AND CATALYSIS LETTERS, 1980, 13 (02): : 151 - 154

[2] BERAN S, 1979, J PHYS CHEM-US, V83, P19

[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947

[4] 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

[5] DEROUANE EG, UNPUB

[6] DUBSKY J, 1979, 4TH P INT S HET CAT, V2, P421

[7] GORDON MS, UNPUB J AM CHEM SOC

[8] QUANTUM CHEMICAL STUDY OF CATALYTIC ISOMERIZATION OF OLEFINS .1. ALLYLIC INTERMEDIATE IN PRESENCE OF A BASE [J]. JOURNAL OF CATALYSIS, 1977, 47 (01) : 55 - 61

[9] HASS EC, 1981, J MOL STRUCT, V76, P389

[10] HASS EC, 1982, J MOL STRUC-THEOCHEM, V87, P261