Ab initio calculations on large molecules using molecular fragments. Lincomycin model studies

ChemInform Abstract: AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, LINCOMYCIN MODEL STUDIES

10.1002/chin.197440447 ◽

1974 ◽

Vol 5 (40) ◽

pp. no-no

Author(s):

L. L. SHIPMAN ◽

R. E. CHRISTOFFERSEN ◽

B. V. CHENEY

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Fragments ◽

Large Molecules ◽

Model Studies

ChemInform Abstract: AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, POLYPEPTIDES OF GLYCINE

10.1002/chin.197337089 ◽

1973 ◽

Vol 4 (37) ◽

pp. no-no

Author(s):

LESTER L. SHIPMAN ◽

RALPH E. CHRISTOFFERSEN

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Fragments ◽

Ab Initio Calculations on Large Molecules Using Molecular Fragments. Hydrocarbon Characterizations

The Journal of Chemical Physics ◽

10.1063/1.1674599 ◽

1971 ◽

Vol 54 (1) ◽

pp. 239-252 ◽

Cited By ~ 54

Author(s):

Ralph E. Christoffersen ◽

Donald W. Genson ◽

Gerald M. Maggiora

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Fragments ◽

ChemInform Abstract: AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, UNRESTRICTED HARTREE-FOCK CALCULATIONS ON THE LOW-LYING STATES OF FORMALDEHYDE AND ITS RADICAL IONS

10.1002/chin.197511095 ◽

1975 ◽

Vol 6 (11) ◽

pp. no-no

Author(s):

TIMOTHY D. DAVIS ◽

GERALD M. MAGGIORA ◽

RALPH E. CHRISTOFFERSEN

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Radical Ions ◽

Molecular Fragments ◽

Large Molecules ◽

Hartree Fock

Ab initio calculations on large molecules using molecular fragments. Characterization of the zwitterion of glycine

Theoretica Chimica Acta ◽

10.1007/bf00527440 ◽

1973 ◽

Vol 31 (1) ◽

pp. 75-82 ◽

Cited By ~ 14

Author(s):

Lester L. Shipman ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Fragments ◽

Ab initio calculations on large molecules using molecular fragments. Unrestricted Hartree-Fock calculations of the low-lying states of formaldehyde and its radical ions

Journal of the American Chemical Society ◽

10.1021/ja00833a007 ◽

1974 ◽

Vol 96 (26) ◽

pp. 7878-7887 ◽

Cited By ~ 11

Author(s):

Timothy D. Davis ◽

Gerald M. Maggiora ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Radical Ions ◽

Molecular Fragments ◽

Large Molecules ◽

Hartree Fock

Ab initio calculations on large molecules using molecular fragments. Generalization and characteristics of floating spherical Gaussian basis sets

Journal of the American Chemical Society ◽

10.1021/ja00442a003 ◽

1976 ◽

Vol 98 (26) ◽

pp. 8325-8332 ◽

Cited By ~ 29

Author(s):

Gerald M. Maggiora ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Basis Sets ◽

Molecular Fragments ◽

Gaussian Basis Sets ◽

Ab initio calculations on large molecules using molecular fragments: Comparison of charge distribution and molecular electrostatic potential for ethyl chlorophyllide a and related molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.560100716 ◽

2009 ◽

Vol 10 (S3) ◽

pp. 119-133 ◽

Cited By ~ 2

Author(s):

Tetsuro Oie ◽

Gerald M. Maggiora ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Charge Distribution ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Molecular Fragments ◽

Ab initio calculations on large molecules using molecular fragments. Nitroxide spin label characterizations

Journal of the American Chemical Society ◽

10.1021/ja00839a010 ◽

1975 ◽

Vol 97 (6) ◽

pp. 1347-1354 ◽

Cited By ~ 25

Author(s):

Timothy D. Davis ◽

Ralph E. Christoffersen ◽

Gerald M. Maggiora

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Spin Label ◽

Molecular Fragments ◽

ChemInform Abstract: AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS. GENERALIZATION AND CHARACTERISTICS OF FLOATING SPHERICAL GAUSSIAN BASIS SETS

10.1002/chin.197712063 ◽

1977 ◽

Vol 8 (12) ◽

pp. no-no

Author(s):

G. M. MAGGIORA ◽

R. E. CHRISTOFFERSEN

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Basis Sets ◽

Molecular Fragments ◽

Gaussian Basis Sets ◽