Older Research Publications:
- Speers, P.; Laidig, K. E.; Streitwieser, A. "Atomic and
Molecular Origins of the Acidity Trends in Dimethyl
Sulfide, Dimethyl Sulfone, and Dimethyl Sulfoxide." J. Am.
Chem. Soc., 1994, 116, 9257.
- Laidig, K. E. "Density Functinoal Methods and the
Spatial Distribution of Electronic Charge." Chem. Phys.
Letters, 1994, 255, 285.
- Speers, P.; Laidig, K. E. "Theroretical Investigations
of Protonation and Lithiation: First and Second Row
Ketones." J. Chem. Soc., Perkin 2, 1994, 799.
- Laidig, K. E. "A General Expression for the Spatial
Partitioning of the Moments and Mulitpole Moments of
Molecular Charge Distributions." J. Phys. Chem.,
1993, 97, 12760.
- Werstiuk, N. H.; Laidig, K. E.; Ma, J. "Application
of the Quantum Theory of Atoms in Molecules to a Study of
the Anomeric Effect in Dimethoxymethane." in "The Anomeric
Effect and Associated Stereoelectronic Effects.", ACS
Symposium Series 539, G. R. J. Thatcher, ed.,
1993, 176.
- Laidig, K. E.; Cameron, L. M. "What Happens to
Formamide During C-N Bond Rotation? Atomic and Molecular
Energetics and Reactivity as a Function of Internal
Rotation." Can. J. Chem., 1993, 71, 872.
- Dixon, R. E.; Streitwieser, A., Jr.; Laidig, K. E.;
Bader, R. F. W.; Harder, S. "The Reaction of Lithium Amide
with Methane. An ab initio and Atoms in Molecules Study."
J. Phys. Chem., 1993, 97, 3728.
- Wiberg, K. B.; Laidig, K. E. "Substituent Effects.
3. A Comparison of Ethyl, Vinyl, Isopropyl, and
Cyclopropyl Derivatives." J. Org. Chem., 1992,
57, 5092.
- Laidig, K. E. "Use of the Nuclear Potential to
Investigate the 'Atomic Size' Dependency of the Populations
Defined within the Theory of Atoms in Molecules." J. Am.
Chem. Soc., 1992, 114, 7912.
- Bader, R. F. W.; Laidig, K. E. "The Definition of a
Chemical Bond, of Molecular Structure, and of Its Change as
Exemplified by the Structure Diagram for C4H7+." J. Mol.
Struct. (THEOCHEM), 1992, 261, 1.
- Bader, R. F. W.; Gough, K. M.; Laidig, K. E.; Keith,
T. A. "Properties of Atoms in Molecules: Additivity and
Transferability of Group Polarizabilities." Mol. Phys.,
1992, 75, 1167.
- Laidig, K. E. "The Atomic Basis of the Molecular
Quadrupole Moments in Carbon Dioxide, Carbon Sulphoxide,
and Carbon Disulphide." Chem. Phys., 1992,
162, 287.
- Laidig, K. E. "The Use of Charge Density to
Investigate Chemical Reactions; The Displacement of Methyl
Chloride by Flouride Ion." J. Mol. Struc. (THEOCHEM).,
1992, 255, 93.
- Laidig, K. E. "The Atomic Basis of the Molecular
Quadrupole Moments in Benzene and Hexafluorobenzene."
Chem. Phys. Letters, 1991, 185, 483.
- Laidig, K. E. "The Energetics of Hydrocarbon
Branching." J. Phys. Chem., 1991, 95,
7709.
- Bader, R. F. W.; Laidig, K. E. "The Prediction and
Calculation of Properties of Atoms in Molecules." J. Mol.
Struc. (THEOCHEM), 1991, 234, 75.
- Laidig, K. E.; Bader, R. F. W. "Distorted Amides:
Correlation of Their Enhanced Solvolysis with Local Charge
Depletions at Carbonyl Carbon." J. Am. Chem. Soc.,
1991, 113, 6312.
- Wiberg, K. B.; Hadad, C. M.; Breneman, C. M.; Laidig,
K. E.; Murcko, M. A.; Le Page, T. J. "The Response of
Electrons to Structural Changes" Science, 1991,
252, 1266.
- Bader, R. F. W.; Laidig, K. E. "Determination of
Atomic and Structural Properties from Experimental Charge
Distributions." in "The Applications of Charge Density
Research in Chemistry and Drug Design" NATO-ASI Series, G.
A. Jeffrey and J. F. Piniella, eds., Plenum Press, New
York, 1991, 23.
- Bader, R. F. W.; Laidig, K. E. "Analysis and
Classification of the Charge Distribution using Quantum
Mechanics" Trans. Am. Cryst. Assoc., 1990,
26, 1.
- Laidig, K. E.; Bader, R. F. W. "The Properties of
Atoms in Molecules: Atomic Polarizabilities." J. Chem.
Phys., 1990, 93, 7213.
- Bader, R. F. W.; Cheeseman, J. R.; Laidig, K. E.;
Wiberg, K. B.; Breneman, C. M. "Origin of Rotation and
Inversion Barriers." J. Am. Chem. Soc., 1990,
112, 6530.
- Wiberg, K. B.; Murcko, M. A.; Laidig, K. E.;
McDougall, P. J. "Origin of the 'Gauche Effect' in
Substituted Ethanes and Ethenes." J. Phys. Chem.,
1990, 94, 5956.
- Saunders, M.; Laidig, K. E.; Wolfsberg, M. "The
Theoretical Calculation of Equilibrium Isotope Effects
Using Reduced Isotopic Partition Function Ratios." J. Am.
Chem. Soc., 1989, 111, 8989.
- Wiberg, K. B.; Breneman, C. M.; Laidig, K. E.;
Rosenberg, R. E. "Resonance Interactions in Acyclic
Systems." Pure & Appl. Chem., 1989,
61, 635.
- Jarret, R. M.; Veniero, J. C.; Byrne, T. P.; Saunders,
M.; Laidig, K. E. "The Structure and Energetics of the
Nortricyclyl Cation." J. Am. Chem. Soc., 1988,
110, 8287.
- Saunders, M.; Laidig, K. E.; Wiberg, K. B.; von Rague
Schleyer, P. "Structures, Energies, and Modes of
Interconversion of C4H7+ Ions" J. Am. Chem. Soc.,
1988, 110, 7652.
- Wiberg, K. B.; Laidig, K. E. "Acidity of Z- and
E-Methyl Acetates: Relationship to Meldrum's Acid." J. Am.
Chem. Soc., 1988, 110, 1872.
- von Rague Schleyer, P.; Laidig, K. E.; Wiberg, K. B.;
Saunders, M.; Schindler, M. "The ab initio Energy
Difference Favoring the Nonclassical over the Classical
Structure of the Bicyclo[2.1.1]hexyl Cation. Comparison of
Calculated (IGLO) and Experimental 13C Chemical Shifts." J.
Am. Chem. Soc., 1988, 110, 300.
- Wiberg, K. B.; Laidig, K. E. "Rotational Barriers
Adjacent to Carbonyl Groups 3. Amide Resonance and the C-O
Barrier in Acids and Esters." J. Am. Chem. Soc., 1987,
109, 5935.
- Wiberg, K. B.; Waddell, S. T.; Laidig, K.
"[1.1.1]Propellane: Reaction with Free Radicals."
Tetrahedron, 1986, 27, 1553.
- Laidig, K. E. "Theoretical Investigation of I. Barriers
to Rotation Adjacent to Carbonyl Groups in Carboxylic Acids
and Esters and II. Structures, Energies, Modes of
Interconversion, and Isotope Effects in the
Cyclopropylcarbinyl-Cyclobutyl and Bicyclo[2.1.1]hexyl
Cations." Ph.D. Thesis, Yale University, 1988.
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