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Roald Hoffmann

Articles 1960-1969

46.
The Conservation of Orbital Symmetry

R. B. Woodward and R. Hoffmann, Angew. Chem., 81, 797 (1969); Angew. Chem. Internat. Ed., 8, 781 (1969). Reprinted in book form by Verlag Chemie and Academic Press.

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46.
The Conservation of Orbital Symmetry
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45.
The Balance of Steric and Conjugative Effects in Phenyl-substituted Cations, Radicals, and Anions

R. Hoffmann, R. Bissell, and D.G. Farnum, J. Phys. Chem. 73, 1789 (1969).

balance-of-steric-and-conjugative-effects-in-phenyl-substituted-cations-radicals-and-anions.pdf (1.14 MB)

44.
The Electronic Ground States of Ortho, Meta and Para Benzynes

M. Gheorghiu and R. Hoffmann, Rev. Roum. de Chimie, 14, 947 (1969).

44s_0.pdf (3.14 MB)

43.
The Electronic Structure of Some Substituted Cyclobutadienes

M. Gheorghiu and R. Hoffmann, Rev. Roum. de Chimie, 14, 781 (1969).

42.
Hetaryne Intermediates

W. Adam, A. Grimison and R. Hoffmann, J. Amer. Chem. Soc., 91, 2590 (1969).

42.pdf (932.7 KB)

41.
A Quantum Mechanical Approach to the Conformational Analysis of Macro-molecules in Ground and Excited States

R. Hoffmann and A. Imamura, Biopolymers, 7, 207 (1969).

41.pdf (374.99 KB)

40.
Formal Diradicals Which Should Have Singlet Ground States

R. Gleiter and R. Hoffmann, Angew. Chem., 81, 225 (1969).

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40.
Formal Diradicals Which Should Have Singlet Ground States
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39.
Symmetry Requirements for the Stabilization of One Class of Diradicals

R. Hoffmann, Chem. Commun., 240 (1969).

39s_0.pdf (241.69 KB)

38.
Transition State for the Hydrogen-Iodine and the Hydrogen Exchange Reaction

 R. Hoffmann, J. Chem. Phys., 49, 3739 (1968).

38.pdf (387.88 KB)

37.
On Stabilizing a Singlet Methylene, R. Gleiter and R. Hoffmann

R. Gleiter and R. Hoffmann, J. Amer. Chem. Soc., 90, 5457 (1968).

37s_0.pdf (398.72 KB)

36.
The Electronic Structure and Torsional Potentials in Ground and Excited States of Biphenyl, Fulvalene and Related Compounds

 A. Imamura and R. Hoffmann, J. Amer. Chem. Soc., 90, 5379 (1968).

36.pdf (691.02 KB)

35.
The Stabilization of Centers with Six Valence Electrons Through Electron-Rich Three-Center Bonding

R. Gleiter and R. Hoffmann, Tetrahedron, 24, 5899 (1968)

35s_0.pdf (907.96 KB)

34.
The Isocyanide-Cyanide and Isoelectronic Rearrangements

G. W. Van Dine and R. Hoffmann, J. Amer. Chem. Soc., 90, 3227 (1968).

34.pdf (559.58 KB)

33.
Hydrogen Bonding in Pyridine

W. Adam, A. Grimison, R. Hoffmann and C. Zuazaga de Ortiz, J. Amer. Chem. Soc., 90, 1509 (1968).

33.pdf (900.53 KB)

32.
Benzynes, Dehydroconjugated Molecules and the Interaction of Orbitals Separated by a Number of Intervening Sigma Bonds

 R. Hoffmann, A. Imamura and W. J. Hehre, J. Amer. Chem. Soc., 90, 1499 (1968).

32s_0.pdf (1.23 MB)

31.
The Electronic Structure of Methylenes

R. Hoffmann, G. D. Zeiss and G. W. Van Dine, J. Amer. Chem. Soc., 90, 1485 (1968).

31s_1.pdf (1.43 MB)

30.
Trimethylene and the Addition of Methylene to Ethylene

R. Hoffmann, J. Amer. Chem. Soc., 90, 1475 (1968).

30s_1.pdf (1.23 MB)

29.
The Conservation of Orbital Symmetry

R. Hoffmann and R. B. Woodward, Accounts of Chemical Research, 1, 17 (1968).

29.pdf (643.29 KB)

28.
The Spirarenes

R. Hoffmann, A. Imamura and G. D. Zeiss, J. Amer. Chem.Soc., 89, 5215 (1967).

28s_1.pdf (575.92 KB)

27.
The Electronic Structure of Some Transition States and Intermediates in Organic Reactions

R. Hoffmann, Trans. N.Y. Acad. Sci., 28, 475 (1966).

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27.
The Electronic Structure of Some Transition States and Intermediates in Organic Reactions
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26.
The Dependence of Conformational and Isomer Stability on the Number of Electrons in Extended-Systems

R. Hoffmann and R.A.Olofson, J. Amer. Chem. Soc., 88, 943 (1966).

26.pdf (454.79 KB)

25.
Extended Hückel Theory. VI. Excited States and Photochemistry of Diazirines and Diazomethanes

R. Hoffmann, Tetrahedron, 22, 539 (1966).

25.pdf (522.05 KB)

24.
Extended Hückel Theory. V. Cumulenes, Polyenes, Polyacetylenes and Cn

 R. Hoffmann, Tetrahedron, 22, 521 (1966).

24.pdf (1.22 MB)

23.
Some Theoretical Observations on Cyclopropane

R. Hoffmann, Tetrahedron Letters, 3819 (1965).

23s_1.pdf (241.19 KB)

22.
Orbital Symmetries and Orientational Effects in a Sigmatropic Reaction

 R. Hoffmann and R. B. Woodward, J. Amer. Chem. Soc., 87, 4389 (1965).

22s_1.pdf (237.04 KB)

21.
Orbital Symmetries and Endo/Exo Relationships in Concerted Cycloaddition Reactions

R. Hoffmann and R. B. Woodward, J. Amer.Chem. Soc., 87, 4388 (1965).

21s_1.pdf (254.33 KB)

20.
Selection Rules for Sigmatropic Reactions

R. B. Woodward and R. Hoffmann, J. Amer. Chem. Soc., 87, 2511 (1965).

20s_1.pdf (370.24 KB)

19.
Selection Rules for Concerted Cycloaddition Reactions

R. Hoffmann and R. B. Woodward, J. Amer. Chem. Soc., 87, 2046 (1965).

19s_1.pdf (317 KB)

18.
Stereochemistry of Electrocyclic Reactions

R. B. Woodward and R. Hoffmann, J. Amer. Chem. Soc., 87, 395 (1965).

18s_1.pdf (3.66 MB)

17.
An Extended Hückel Theory. IV. Carbonium Ions

R. Hoffmann, J. Chem. Phys., 40, 2480 (1964).

17.pdf (917.82 KB)

16.
An Extended Hückel Theory. III. Compounds of Boron and Nitrogen

R. Hoffmann, J. Chem. Phys., 40, 2474 (1964).

16.pdf (734.29 KB)

15.
An Extended Huckel Theory. II. Sigma Orbitals in the Azines

R. Hoffmann, J.Chem. Phys., 40, 2745 (1964).

15.pdf (304.1 KB)

14.
Toward an Understanding of Nonclassical Carbonium Ions

R. Hoffmann, J. Amer. Chem. Soc., 86, 1259 (1964).

14.pdf (287.7 KB)

13.
Distribution of Electronic Levels in Alkanes, R. Hoffmann

R. Hoffmann, J. Chem. Phys., 40, 2047 (1964).

13s_1.pdf (174.85 KB)

12.
Theoretical Investigation on Boron-Nitrogen Molecules

R. Hoffmann in Advances in Chemistry No. 42, American Chemical Society, Washington, p. 78 (1964).

12.pdf (1.02 MB)

11.
An Extended Hückel Theory. I. Hydrocarbons

R. Hoffmann, J. Chem Phys., 39, 1397 (1963).

11s_1.pdf (1.14 MB)

10.
Intramolecular Isomerization and Transformations in Carboranes and Substituted Boron Hydrides

R. Hoffmann and W. N. Lipscomb, Inor. Chem., 2, 231 (1963).

10.pdf (254.38 KB)

9.
Excitons Theory by Second Quantization

 R. Hoffmann, Rad. Res., 20, 140 (1963).

-ExcitonTheorySecond-1963.pdf (413.79 KB)

8.
Sequential Substitution Reactions on B10H10-2 and B12H12-2

R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 37, 520 (1963).

8.pdf (455.15 KB)

7.
The Excited States of Helical Polymers

(In Russian) R. Hoffmann, Vestn. Moskov. Univ. Ser. Fiz. Astr., 69 (1962).

6.
The Boron Hydrides; LCAO-MO and Resonance Studies

R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 37, 2872 (1962).

6s_1.pdf (12.57 MB)

5.
Theory of Polyhedral Molecules. III. Population Analyses and Reactivities for the Carboranes

 R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 36, 3489 (1962).

5.pdf (124 KB)

4.
Theory of Polyhedral Molecules. II. A Crystal Field Model

R. Hoffmann and M. P. Gouterman, J. Chem. Phys., 36, 2189 (1962).

4s_1.pdf (9.31 MB)

3.
Theory of Polyhedral Molecules. I. Physical Factorizations of the Secular Equation

R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 36, 2179 (1962).

3s_1.pdf (14.33 MB)