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Blair JT, Weisshaar JC, Weinhold F. THE 2AG EXCITED-STATE OF (CO)2+. Journal of Chemical Physics. 1988;88:1467-1468.

Nelsen SF, Kessel CR, Brien DJ, Weinhold F. 9-(9-BORABICYCLO 3.3.1 NONYL)-9-AZABICYCLO 3.3.1 NONANE RADICAL CATION - A FAILURE OF BREDT RULE KINETIC STABILIZATION. Journal of Organic Chemistry. 1980;45:2116-2119.

Kuramshina GM, Weinhold F, Pentin YA. Ab initio and regularized force fields of haloethanes: CH[sub 3]CH[sub 2]Cl, CH[sub 3]CHCl[sub 2], CH[sub 3]CF[sub 2]Cl, and CH[sub 3]CFCl[sub 2]. The Journal of Chemical Physics. 1998;109:7286-7299.

Edison AS, Markley JL, Weinhold F. AB-INITIO CALCULATIONS OF PROTIUM DEUTERIUM FRACTIONATION FACTORS IN O2H5+ CLUSTERS. Journal of Physical Chemistry. 1995;99:8013-8016.

Hansen DF, Westler WM, Kunze MBA, Markley JL, Weinhold F, Led JJ. Accurate Structure and Dynamics of the Metal-Site of Paramagnetic Metalloproteins from NMR Parameters Using Natural Bond Orbitals. Journal of the American Chemical Society. 2012;134:4670-4682.

Carpenter JE, Weinhold F. ANALYSIS OF THE GEOMETRY OF THE HYDROXYMETHYL RADICAL BY THE DIFFERENT HYBRIDS FOR DIFFERENT SPINS NATURAL BOND ORBITAL PROCEDURE. Journal of Molecular Structure-Theochem. 1988;46:41-62.

Corcoran CT, Weinhold F. ANTISYMMETRIZATION EFFECTS IN BOND-ORBITAL MODELS OF INTERNAL-ROTATION BARRIERS. Journal of Chemical Physics. 1980;72:2866-2868.

Weinhold F, Robinson PD. BIVARIATIONAL CALCULATIONS OF BOUNDS ON COMPLEX-FREQUENCY POLARIZABILITIES. Journal of Chemical Physics. 1978;68:2915-2921.

Alabugin IV, Manoharan M, Weinhold F. Blue-Shifted and Red-Shifted Hydrogen Bonds in Hypervalent Rare-Gas FRg−H···Y Sandwiches. The Journal of Physical Chemistry A. 2004;108:4720-4730.

Tyrrell J, Weinstock RB, Weinhold F. BOND-ANTIBOND ANALYSIS OF INTERNAL-ROTATION BARRIERS IN GLYOXAL AND RELATED MOLECULES - WHERE INDO FAILS. International Journal of Quantum Chemistry. 1981;19:781-791.

Nemukhin AV, Weinhold F. BORON OXIDES - ABINITIO STUDIES WITH NATURAL BOND ORBITAL ANALYSIS. Journal of Chemical Physics. 1993;98:1329-1335.

Anderson MT, Weinhold F. Bounds to the lifetime of the Ar XVII $2 ^{3}S$ state. Phys. Rev. A. 1975;11:442–445.

Edison AS, Markley JL, Weinhold F. CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS WITH AB-INITIO MOLECULAR-ORBITAL WAVE-FUNCTIONS. Journal of Physical Chemistry. 1993;97:11657-11665.

Weinhold F. Calculation of Upper and Lower Bounds to Oscillator Strengths. The Journal of Chemical Physics. 1971;54:1874-1881.

Edison AS, Markley JL, Weinhold F. Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data. J Biomol NMR. 1994;4(4):519-42.

Edison AS, Markley JL, Weinhold F. Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data. Journal of Biomolecular NMR. 1994;4:519-542.

Bell MJ, Lau KC, Krisch MJ, Bennett DIG, Butler LJ, Weinhold F. Characterization of the methoxy carbonyl radical formed via photolysis of methyl chloroformate at 193.3 nm. Journal of Physical Chemistry A. 2007;111:1762-1770.

Weinhold F. Chemical Bonding as a Superposition Phenomenon. Journal of Chemical Education. 1999;76:1141.

Weinhold F. Chemistry: A new twist on molecular shape. Nature (London, United Kingdom). 2001;411:539-541.

Weinhold F. Classical and Geometrical Theory of Chemical and Phase Thermodynamics. John Wiley; 2009 p. 490.

DeRider ML, Wilkens SJ, Waddell MJ, Bretscher LE, Weinhold F, Raines RT, Markley JL. Collagen stability: Insights from NMR spectroscopic and hybrid density functional computational investigations of the effect of electronegative substituents on prolyl ring conformations. Journal of the American Chemical Society. 2002;124:2497-2505.

DeRider ML, Wilkens SJ, Waddell MJ, Bretscher LE, Weinhold F, Raines RT, Markley JL. Collagen stability: insights from NMR spectroscopic and hybrid density functional computational investigations of the effect of electronegative substituents on prolyl ring conformations. J Am Chem Soc. 2002;124(11):2497-505.

Landis CR, Weinhold F. Comments on "Is It Time To Retire the Hybrid Atomic Orbital?". Journal of Chemical Education. 2012;89:570-572.

Suidan L, Badenhoop JK, Glendening ED, Weinhold F. COMMON TEXTBOOK AND TEACHING MISREPRESENTATIONS OF LEWIS STRUCTURES. Journal of Chemical Education. 1995;72:583-586.

Moiseyev N, Certain PR, Weinhold F. COMPLEX-COORDINATE CALCULATIONS WITH COMPLEX BASIS-SETS. Physical Review A. 1981;24:1254-1259.

Moiseyev N, Certain PR, Weinhold F. COMPLEX-COORDINATE STUDIES OF HELIUM AUTO-IONIZING RESONANCES. International Journal of Quantum Chemistry. 1978;14:727-736.

Brunck TK, Weinhold F. Conceptual model of "through-bonds" interactions. Journal of the American Chemical Society. 1976;98:4392-4393.

Kuramshina GM, Weinhold F. Constraints on the values of force constants for molecular force field models based on ab initio calculations. Journal of Molecular Structure. 1997;410–411:457 - 461.

Wesenberg G, Weinhold F. COUPLING OF INTERNAL ROTATIONS IN PROPANE-LIKE MOLECULES. International Journal of Quantum Chemistry. 1982;21:487-509.

Weinhold F. Criteria of Accuracy of Approximate Wavefunctions. Journal of Mathematical Physics. 1970;11:2127-2138.

Moiseyev N, Weinhold F. CRITERIA OF ACCURACY OF RESONANCE EIGENVALUES. International Journal of Quantum Chemistry. 1980;17:1201-1211.

Wendt MA, Weinhold F, Farrar TC. Critical test of quantum cluster equilibrium theory: Formic acid at B3LYP/6-31+G* hybrid density functional level. Journal of Chemical Physics. 1998;109:5945-5947.

Burnette RR, Weinhold F. Determination of the Conformation of 2-Hydroxy- and 2-Aminobenzoic Acid Dimers Using 13C NMR and Density Functional Theory/Natural Bond Order Analysis: The Central Importance of the Carboxylic Acid Carbon. Journal of Physical Chemistry A. 2006;110:8832-8839.

Bruch LW, Weinhold F. Diamagnetism of helium. The Journal of Chemical Physics. 2000;113:8667-8670.

Weinhold F. Dickinson Energy of H[sub 2][sup + ]. The Journal of Chemical Physics. 1971;54:530-532.

Anderson MT, Weinhold F. Dipole oscillator strengths, with rigorous limits of error, for He and Li+. Phys. Rev. A. 1974;9:118–128.

Bruch LW, Corcoran CT, Weinhold F. DIPOLE-MOMENT OF 3 IDENTICAL SPHERICAL ATOMS. Molecular Physics. 1978;35:1205-1210.

Weinhold F, Landis CR. Discovering Chemistry With Natural Bond Orbitals. Wiley; 2012.

Glover RM, Weinhold F. DYNAMIC POLARIZABILITIES OF 2-ELECTRON ATOMS, WITH RIGOROUS UPPER AND LOWER BOUNDS. Journal of Chemical Physics. 1976;65:4913-4926.

Glover RM, Weinhold F. DYNAMIC POLARIZABILITIES OF METASTABLE 2-1,3S EXCITED-STATES OF HE AND LI+, WITH RIGOROUS UPPER AND LOWER BOUNDS. Journal of Chemical Physics. 1977;66:185-190.

Ludwig R, Weinhold F, Farrar TC. Effective O-17 quadrupole moments for the calibrated computation of quadrupole coupling parameters at different levels of theory. Journal of Chemical Physics. 1996;105:8223-8230.

Weinhold F. Electric Polarizabilities of Two-Electron Atoms by a Lower-Bound Procedure. Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences. 1972;327:209-227.

Moiseyev N, Weinhold F. ELECTRON-CORRELATION EFFECTS IN THE POSITIONS AND WIDTHS OF 2-ELECTRON AUTO-IONIZING RESONANCES. Physical Review A. 1979;20:27-31.

Alabugin IV, Manoharan M, Peabody S, Weinhold F. Electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization. J Am Chem Soc. 2003;125(19):5973-87.

Ludwig R, Weinhold F, Farrar TC. EXPERIMENTAL AND THEORETICAL DETERMINATION OF THE TEMPERATURE-DEPENDENCE OF DEUTERON AND OXYGEN QUADRUPOLE COUPLING-CONSTANTS OF LIQUID WATER. Journal of Chemical Physics. 1995;103:6941-6950.

Hansen MJ, Wendt MA, Weinhold F, Farrar TC. Experimental and theoretical spin-spin coupling constants for [15N] formamide. Molecular Physics. 2002;100:2807-2814.

Ludwig R, Weinhold F, Farrar TC. EXPERIMENTAL AND THEORETICAL-STUDIES OF HYDROGEN-BONDING IN NEAT, LIQUID FORMAMIDE. Journal of Chemical Physics. 1995;102:5118-5125.

Rensberger KJ, Blair JT, Weinhold F, Crim FF. EXPERIMENTAL AND THEORETICAL-STUDY OF THE RELAXATION OF VIBRATIONALLY EXCITED HF BY NO AND CO. Journal of Chemical Physics. 1989;91:1688-1696.

Weinhold F, Wang PSC. On a formula of Braun and Rebane for variational bounds to overlap. International Journal of Quantum Chemistry. 1971;5:215–220.

Weinhold F. Geometric representation of equilibrium thermodynamics. Accounts of Chemical Research. 1976;9:236-240.

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