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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 38, 1979 - Issue 4
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Original Articles

Ab initio molecular orbital calculations on hydrogen- and non-hydrogen-bonded complexes. H2CO·H2O and H2CO·H2S

M. Ahlström Division of Physical Chemistry 2, Chemical Centre, P.O.B. 740, S-220 07, Lund, Sweden
,
B. Jönsson Division of Physical Chemistry 2, Chemical Centre, P.O.B. 740, S-220 07, Lund, Sweden
&
G. Karlström Division of Physical Chemistry 2, Chemical Centre, P.O.B. 740, S-220 07, Lund, Sweden
Pages 1051-1059 | Received 08 Feb 1979, Published online: 23 Aug 2006

Citations (18)

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Gunnar Karlström. (1980) Ab initio molecular orbital study of linear and bifurcated hydrogen-bonded complexes between H2CO and H2S. Molecular Physics 41:4, pages 941-943.
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Articles from other publishers (17)

Barbara Golec, Magdalena Sałdyka & Zofia Mielke. (2021) Complexes of Formaldehyde and α-Dicarbonyls with Hydroxylamine: FTIR Matrix Isolation and Theoretical Study. Molecules 26:4, pages 1144.
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Montu K. Hazra, Joseph S. Francisco & Amitabha Sinha. (2013) Gas Phase Hydrolysis of Formaldehyde To Form Methanediol: Impact of Formic Acid Catalysis. The Journal of Physical Chemistry A 117:46, pages 11704-11710.
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Andrzej J. Sadlej. (1991) Medium-size polarized basis sets for high-level-correlated calculations of molecular electric properties. Theoretica Chimica Acta 79:2, pages 123-140.
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C. Kozmutza, Zs. Ozoróczy & E. Kapuy. (1990) The structure of the CH2O-NH3 system. Journal of Molecular Structure: THEOCHEM 204, pages 101-109.
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Clifford E. Dykstra, Shi-Yi Liu & David J. Malik. 1989. Advances in Chemical Physics. Advances in Chemical Physics 37 111 .
Anders Engdahl & Bengt Nelander. (1985) A matrix-isolation study of the water-d1 iodine atom complex and the equilibrium between its hydrogen-bonded and deuterium-bonded forms. Chemical Physics 100:2, pages 273-280.
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S. Chin & T.A. Ford. (1985) Ab initio molecular orbital calculations of the infrared spectra of water molecules in some intermolecular complexes. Journal of Molecular Structure: THEOCHEM 133, pages 193-209.
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Andrzej Leś. (1985) A pseudopotential study of the hydrogen bond in H2O·H2S, H2S·H2S and H2O·H2Se systems. Theoretica Chimica Acta 66:6, pages 375-393.
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R. Viswanathan & T. R. Dyke. (1985) The microwave and radiofrequency spectrum of H2S⋅Ar. The Journal of Chemical Physics 82:4, pages 1674-1681.
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F.J. Olivares del Valle, S. Tolosa & J. Espinosa. (1985) Basis set superposition effects in electronic Populations Calculated on Hydrogen Bonded Systems. Journal of Molecular Structure: THEOCHEM 120, pages 277-283.
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R.D. Amos. (1984) Dipole moment derivatives of H2O and H2S. Chemical Physics Letters 108:2, pages 185-190.
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U. Chandra Singh & Peter A. Kollman. (1984) A b   i n i t i o calculations on the structure and nature of the hydrogen bonded complex H2S ⋅⋅⋅ HF . The Journal of Chemical Physics 80:1, pages 353-355.
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C. H. Rhee, R. M. Metzger & F. M. Wiygul. (1982) CNDO/2-FPP atom-in-molecule polarizabilities. The Journal of Chemical Physics 77:2, pages 899-915.
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Gerald M. Maggiora & Ian H. Williams. (1982) Intermolecular interaction energies from minimal-basis SCF calculations. Interactions pertinent to formaldehyde hydration. Journal of Molecular Structure: THEOCHEM 88:1-2, pages 23-35.
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Bengt Nelander. (1980) Infrared spectra of formaldehyde complexes with hydrogen bromide, chlorine and iodine chloride. Journal of Molecular Structure 69, pages 59-68.
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B. Nelander. (1980) An infrared spectroscopic study of the formaldehyde complexes of dimethyl ether and methanol in solid nitrogen. Journal of Molecular Structure 66, pages 125-133.
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Gunnar Karlstr�m. (1980) A new method for approximate estimates of the dispersion interaction between two molecules. Theoretica Chimica Acta 55:3, pages 233-241.
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