ABINITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - GENERALIZATION AND CHARACTERISTICS OF FLOATING SPHERICAL GAUSSIAN BASIS SETS

被引：25

作者：

MAGGIORA, GM

CHRISTOFFERSEN, RE

机构：

[1] UNIV KANSAS,DEPT BIOCHEM,LAWRENCE,KS 66045

[2] UNIV KANSAS,DEPT CHEM,LAWRENCE,KS 66045

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1976年 / 98卷 / 26期

关键词：

D O I：

10.1021/ja00442a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：8325 / 8332

页数：8

相关论文

共 81 条

[61] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY
ROOTHAAN, CCJ
[J]. REVIEWS OF MODERN PHYSICS, 1951, 23 (02) : 69 - 89
[62] RYAN JA, 1974, MOL QUANTUM PHARM, P319
[63] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - MODEL PEPTIDE STUDIES
SHIPMAN, LL
CHRISTOFFERSEN, RE
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (05) : 1408 - 1416
[64] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - CHARACTERIZATION OF ZWITTERION OF GLYCINE
SHIPMAN, LL
CHRISTOFFERSEN, RE
[J]. THEORETICA CHIMICA ACTA, 1973, 31 (01): : 75 - 82
[65] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - EVIDENCE OF HYDROGEN-BONDING IN POLYPEPTIDES OF GLYCINE
SHIPMAN, LL
CHRISTOFFERSEN, RE
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1972, 69 (11) : 3301 - +
[66] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - INITIAL P-MATRICES FOR SCF CALCULATIONS
SHIPMAN, LL
CHRISTOFFERSEN, RE
[J]. CHEMICAL PHYSICS LETTERS, 1972, 15 (04) : 469 - +
[67] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - LINCOMYCIN MODEL STUDIES
SHIPMAN, LL
CHRISTOF.RE
CHENEY, BV
[J]. JOURNAL OF MEDICINAL CHEMISTRY, 1974, 17 (06) : 583 - 590
[68] SHIPMAN LL, 1973, J AM CHEM SOC, V95, P4533
[69] SLATER JC, 1960, QUANTUM THEORY ATOMI, V1, P182
[70] SNYDER LC, 1972, MOLECULAR WAVE FUNCT

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