List of Publications (1970-1980)

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1,6:8,13-Butanediylidene[14]annulene,
E. Vogel, W. Sturm, and D. Cremer,
Angew. Chem. 82, 513-514 (1970); Int. Edt. Engl. 9, 517-518 (1970).
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¹H-NMR Investigation of the Rotational Behavior of Vinylcyclopropane. 1. A Modified Karplus Equation (in German),
H. Günther, H. Klose, and D. Cremer,
Chem. Ber. 104, 3884-3897 (1971).
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The Benzene Ring as a Probe for the π-Electron Structure of Annulenes. 1. Theoretical Part (in German),
D. Cremer and H. Günther,
Liebigs Ann. Chem. 763, 87-108 (1972).
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Bridged Hetero[11]annulenes,
E. Vogel, R. Feldmann, H. Düwel, D. Cremer, and H. Günther,
Angew. Chem. 84, 207-208 (1972); Int. Edt. Engl. 11, 935 (1972).
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1,4-Doxocin,
E. Vogel, H.J. Altenbach, and D. Cremer,
Angew. Chem. 84, 983-984 (1972); Int. Edt. Engl. 11, 217 (1972).
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Electronic Ground State Properties of Annulenes: Experimental Test of the Q-Value Method,
H. Günther, A. Shyoukh, D. Cremer, and K.H. Frisch,
Tetrahedron Letters 9, 781-783 (1974).
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Molecular Orbital Theory of the Electronic Structure of Organic Compounds. 21. Rotational Potentials for Geminal Methyl Groups,
D. Cremer, J.S. Binkley, J.A. Pople, and W.J. Hehre,
J. Am. Chem. Soc. 96, 6900-6903 (1974).
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Bridged [14]Annulenes with Anthracene Perimeter (in German)
A. Alscher, W. Bremser, D. Cremer, H. Günther, H. Schmickler, W. Sturm, and E. Vogel,
Chem. Ber. 108, 640-656 (1975).
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A General Definition of Ring Puckering Coordinates,
D. Cremer and J.A. Pople,
J. Am. Chem. Soc. 97, 1354-1358 (1975).
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Molecular Orbital Theory of the Electronic Structure of Organic Compounds. 23. Pseudorotation in Saturated Five-Membered Ring Compounds,
D. Cremer and J.A. Pople,
J. Am. Chem. Soc. 97, 1358-1367 (1975).
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RING - A Coordinate Transformation Program for Evaluating the Degree and Type of Puckering of a Ring Compound,
D. Cremer,
Quantum Chemical Program Exchange, No. 288, 1-8 (1975).
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Molecular Orbital Theory of the Electronic Structure of Organic Compounds. 25. Conformation of Methyl- and Fluoro-Substituted Cyclopentanes and Cyclohexanes,
D. Cremer, J.S. Binkley, and J.A. Pople,
J. Am. Chem. Soc. 98, 6863-6839 (1976).
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Ab Initio Calculations of the Equilibrium Structure of Cyclobutane,
D. Cremer,
J. Am. Chem. Soc. 99, 1307-1309 (1977).
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³J(H,H) - Pμ,ν Correlation for Planar 7-Membered Cyclic π-Systems - Structural Effects on ³J(H,H),
H. Günther, H. Schmickler, M.-E. Günther, and D. Cremer,
Org. Magn. Reson. 9, 420-425 (1977).
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The Benzene Ring as a Probe for the π-Electron Structure of Annulenes. Part 2. Experimental Results for Benzoannulene Ions (in German),
H. Günther, A. Shyoukh, D. Cremer, and K.H. Frisch,
Liebigs Ann. Chem. 1978, 150-164.
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Nonplanar Structures of Cyclobutadiene Dications,
K. Krogh-Jespersen, P.v.R. Schleyer, J.A. Pople, and D. Cremer,
J. Am. Chem. Soc. 100, 4301-4302 (1978).
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Theoretical Determination of Molecular Structure and tion. 1. The Role of Basis Set and Correlation Effects in Calculations on Hydrogen Peroxide,
D. Cremer,
J. Chem. Phys. 69, 4440-4455 (1978).
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Theoretical Determination of Molecular Structure and Conformation. 2. Hydrogen Trioxide - A Model Compound for Studying the Conformational Modes of Geminal Double Rotors and Five-Membered Rings,
D. Cremer,
J. Chem. Phys. 69, 4456-4471 (1978).
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On the r_o- and r_e-Structures of H₂O₂,
D. Cremer and D. Christen,
J. Mol. Spectrosc. 74, 480-482 (1979).
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Theoretical Determination of Molecular Structure and Conformation. 3. The Pseudorotation Surface of 1,2,3-Trioxolane and 1,2,4-Trioxolane,
D. Cremer,
J. Chem. Phys. 70, 1898-1910 (1979).
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Theoretical Determination of Molecular Structure and Conformation. 4. Electronic Effects Influencing the Stability of Methyl Substituted Primary Ozonides,
D. Cremer,
J. Chem. Phys. 70, 1911-1927 (1979).
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Theoretical Determination of Molecular Structure and Conformation. 5. Electronic Effects Influencing the Stability of Methyl Substituted Final Ozonides,
D. Cremer,
J. Chem. Phys. 70, 1928-1936 (1979).
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Molecular Orbital Theory of the Electronic Structure of Molecules. 39. Highly Unusual Structures of Electron-Deficient Carbon Compounds. Reversal of van't Hoff Stereochemistry in BBC Ring Systems,
K. Krogh-Jespersen, D. Cremer, D. Poppinger, J.A. Pople, P.v.R. Schleyer, and J. Chandrasekhar,
J. Am. Chem. Soc. 101, 4843-4851 (1979).
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Theoretical Determination of Molecular Structure and Conformation. 6. The Criegee Intermediate. Evidence for a Stabilization of its Syn Form by Alkyl Substituents,
D. Cremer,
J. Am. Chem. Soc. 101, 7199-7205 (1979).
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A General Definition of Ring Substituent Positions,
D. Cremer,
in "Stereochemistry and Conformational Analysis", Israel J. Chem. 20, 12-19 (1980).
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Theoretical Study of the Isomeric Cyclopropylidene-methyl and 1-Cyclobutenyl Cations. Unusually Stable Vinyl Cations,
Y. Apeloig, J.B. Collins, D. Cremer, T. Bally, E Haselbach, J.A. Pople, J. Chandrasekhar, and P.v.R. Schleyer,
J. Org. Chem. 45, 3496-3501 (1980).
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Structure and Puckering Potential of Azetidine, (CH₂)₃NH, Studied by Electron Diffraction and Ab Initio Calculations,
D. Cremer, O.V. Dorofeeva, and V.S. Mastryukov,
8^th Austin Symposium on Molecular Structure, Austin, Texas, 1980, 66, 1-2.
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How reliable are Theoretically Determined re-Structures? (in German),
D. Cremer,
Fresenius Z. Anal. Chem. 304, 261-262 (1980).
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Conformational Analysis of Ring Compounds (in German),
D. Cremer,
Fresenius Z. Anal. Chem. 304, 275-276 (1980).
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Computational and Theoretical Chemistry Group (CATCO)

List of Publications (1970 - 1980)

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