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Data · dataset · 1972

Field and field gradient integrals based on Gaussian type orbitals

Listed in Teesside University Research Data Repository

Title of program: FGRAD Catalogue Id: ABYC_v1_0 Nature of problem The function subprogram FGRAD with associated subroutines FGAMA and FTABL computes the field gradient integral based on combined or contracted gaussian-type orbitals (CGTO).

Description

Versions of this program held in the CPC repository in Mendeley Data ABYC_v1_0; FGRAD; 10.1016/0010-4655(72)90060-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Catalogue records · 1

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Provenance · 1 source records, 10 field assertions
SourceKeyLast seenRaw
Teesside University Research Data Repositoryoai:data.mendeley.com/wy9g8fsm9j.117 h agoJSON v1
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