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Juanes M, Vogt N, Demaison J, León I, Lesarri A, Rudolph HD (2017) Axial–equatorial isomerism
and semiexperimental equilibrium structures of fluorocyclohexane. Phys Chem Chem Phys
19:29162–29169
Karplus M (1959) Contact electron-spin coupling of nuclear magnetic moments. J Chem Phys
30:11–15
Kuchitsu K (1972) Gas electron diffraction. In: Allen G (ed) MTP international review of science,
physical chemistry series one, 2 molecular structure and properties. Butterworth, Baltimore, pp
203–240
Legon AC, Demaison J (2011) Other spectroscopic sources of molecular properties: intermolecular
complexes as examples. In: Demaison J, Boggs JE, Császár AG (eds) Equilibrium molecular
structures. CRC Press, Boca Raton, pp 205–231
Lewis GN (1916) The atom and the molecule. J Am Chem Soc 38:762–785
Marenich AV, Jerome SV, Cramer CJ, Truhlar DG (2012) Charge model 5: an extension of hirshfeld population analysis for the accurate description of molecular interactions in gaseous and
condensed phases. J Chem Theory Comput 8:527–541
Mastryukov VS, Simonsen SH (1996) Empirical correlations in structural chemistry. In: Hargittai
M, Hargittai I (eds) Advances in molecular structure research, vol 2. JAI Press, Stanford, pp
163–189
McKean DC (1976) A correlation between isolated CH stretching frequencies and HCH bond angles
in methyl groups. J Mol Struct 34:181–185
McKean DC (1978) Individual CH bond strengths in simple organic compounds: effects of
conformation and substitution. Chem Soc Rev 7:399–422
McKean DC (1981) New light on the stretching vibrations, lengths and strengths of CH, SiH and
GeH bonds. J Mol Struct 113:251–266
McKean DC (1989) CH bond dissociation energies, frequencies, and radical stabilization energy.
Int J Chem Kinet 21:445–464
Muller N, Pritchard DE (1959) 13 C Splittings in proton magnetic resonance spectra. II. Bonding in
substituted methanes. J Chem Phys 31:1471–1476
Mulliken RS (1934) A new electroaffinity scale; together with data on valence states and on valence
ionization potentials and electron affinities. J Chem Phys 2:782–793
O’Keeffe M, Brese NE (1991) Atom sizes and bond lengths in molecules and crystals. J Am Chem
Soc 113:3226–3229
Pauling L (1932) The nature of the chemical bond. IV. The energy of single bonds and the relative
electronegativity of atoms. J Am Chem Soc 54:3570–3582
Pauling L (1960) The nature of the chemical bond. Cornell University Press, Ithaca, NY
Pauling L (1947) Atomic radii and interatomic distances in metals. J Am Chem Soc 69:542–553
Pauling L, Corey RB, Branson HR (1951) The structure of proteins: two hydrogen-bonded helical
configurations of the polypeptide chain. Proc Natl Acad Sci USA 37:205–211
Perreault D, Drouin M, Michel A, Miskowski VM, Schaefer WP, Harvey PD (1992) Silver and
gold dimers. Crystal and molecular structure of Ag2(dmpm)2Br2 and [Au2(dmpm)2](PF6)2 and
relation between metal-metal force constants and metal-metal separations. Inorg Chem 31:695–
702
Pyykkö P, Atsumi M (2009) Molecular single-bond covalent radii for elements 1-118. Chem Eur J
15:186-197; Molecular double-bond covalent radii for elements Li-E112. Chem Eur J 15:12770–
12779
Pyykkö P, Riedel S, Patzschke M (2005) Triple-bond covalent radii. Chem Eur J 11:3511–3520
Rappé AK, Goddard WA III (1991) Charge equilibration for molecular dynamics simulations. J
Phys Chem 95:3358–3363
Reed AE, Weinstock RB, Weinhold F (1985) Natural population analysis. J Chem Phys 83:735–746
Sanderson RT (1983a) Electronegativity and bond energy. J Am Chem Soc 105:2259–2261
Sanderson RT (1983b) Polar covalence. Academic Press, New York
Shomaker V, Stevenson DP (1941) Some revisions of the covalent radii and the additivity rule for
the lengths of partially ionic single covalent bonds. J Am Chem Soc 63:37–40
231
Juanes M, Vogt N, Demaison J, León I, Lesarri A, Rudolph HD (2017) Axial–equatorial isomerism
and semiexperimental equilibrium structures of fluorocyclohexane. Phys Chem Chem Phys
19:29162–29169
Karplus M (1959) Contact electron-spin coupling of nuclear magnetic moments. J Chem Phys
30:11–15
Kuchitsu K (1972) Gas electron diffraction. In: Allen G (ed) MTP international review of science,
physical chemistry series one, 2 molecular structure and properties. Butterworth, Baltimore, pp
203–240
Legon AC, Demaison J (2011) Other spectroscopic sources of molecular properties: intermolecular
complexes as examples. In: Demaison J, Boggs JE, Császár AG (eds) Equilibrium molecular
structures. CRC Press, Boca Raton, pp 205–231
Lewis GN (1916) The atom and the molecule. J Am Chem Soc 38:762–785
Marenich AV, Jerome SV, Cramer CJ, Truhlar DG (2012) Charge model 5: an extension of hirshfeld population analysis for the accurate description of molecular interactions in gaseous and
condensed phases. J Chem Theory Comput 8:527–541
Mastryukov VS, Simonsen SH (1996) Empirical correlations in structural chemistry. In: Hargittai
M, Hargittai I (eds) Advances in molecular structure research, vol 2. JAI Press, Stanford, pp
163–189
McKean DC (1976) A correlation between isolated CH stretching frequencies and HCH bond angles
in methyl groups. J Mol Struct 34:181–185
McKean DC (1978) Individual CH bond strengths in simple organic compounds: effects of
conformation and substitution. Chem Soc Rev 7:399–422
McKean DC (1981) New light on the stretching vibrations, lengths and strengths of CH, SiH and
GeH bonds. J Mol Struct 113:251–266
McKean DC (1989) CH bond dissociation energies, frequencies, and radical stabilization energy.
Int J Chem Kinet 21:445–464
Muller N, Pritchard DE (1959) 13 C Splittings in proton magnetic resonance spectra. II. Bonding in
substituted methanes. J Chem Phys 31:1471–1476
Mulliken RS (1934) A new electroaffinity scale; together with data on valence states and on valence
ionization potentials and electron affinities. J Chem Phys 2:782–793
O’Keeffe M, Brese NE (1991) Atom sizes and bond lengths in molecules and crystals. J Am Chem
Soc 113:3226–3229
Pauling L (1932) The nature of the chemical bond. IV. The energy of single bonds and the relative
electronegativity of atoms. J Am Chem Soc 54:3570–3582
Pauling L (1960) The nature of the chemical bond. Cornell University Press, Ithaca, NY
Pauling L (1947) Atomic radii and interatomic distances in metals. J Am Chem Soc 69:542–553
Pauling L, Corey RB, Branson HR (1951) The structure of proteins: two hydrogen-bonded helical
configurations of the polypeptide chain. Proc Natl Acad Sci USA 37:205–211
Perreault D, Drouin M, Michel A, Miskowski VM, Schaefer WP, Harvey PD (1992) Silver and
gold dimers. Crystal and molecular structure of Ag2(dmpm)2Br2 and [Au2(dmpm)2](PF6)2 and
relation between metal-metal force constants and metal-metal separations. Inorg Chem 31:695–
702
Pyykkö P, Atsumi M (2009) Molecular single-bond covalent radii for elements 1-118. Chem Eur J
15:186-197; Molecular double-bond covalent radii for elements Li-E112. Chem Eur J 15:12770–
12779
Pyykkö P, Riedel S, Patzschke M (2005) Triple-bond covalent radii. Chem Eur J 11:3511–3520
Rappé AK, Goddard WA III (1991) Charge equilibration for molecular dynamics simulations. J
Phys Chem 95:3358–3363
Reed AE, Weinstock RB, Weinhold F (1985) Natural population analysis. J Chem Phys 83:735–746
Sanderson RT (1983a) Electronegativity and bond energy. J Am Chem Soc 105:2259–2261
Sanderson RT (1983b) Polar covalence. Academic Press, New York
Shomaker V, Stevenson DP (1941) Some revisions of the covalent radii and the additivity rule for
the lengths of partially ionic single covalent bonds. J Am Chem Soc 63:37–40