-
1
-
-
45549120785
-
The molecular geometry of gas-phase metal-halides
-
Hargittai, M. The molecular geometry of gas-phase metal-halides. Coord. Chem. Rev. 1988, 91, 35-88.
-
(1988)
Coord. Chem. Rev
, vol.91
, pp. 35-88
-
-
Hargittai, M.1
-
2
-
-
0002803033
-
-
Hargittai, I, Hargittai, M, Eds, VCH Publishers: New York
-
Hargittai, M. In Stereochemical Applications of Gas-Phase Electron Diffraction. Part B; Hargittai, I., Hargittai, M., Eds.; VCH Publishers: New York, 1988; pp 383-454.
-
(1988)
Stereochemical Applications of Gas-Phase Electron Diffraction. Part B
, pp. 383-454
-
-
Hargittai, M.1
-
3
-
-
0033690702
-
Molecular structure of metal halides
-
Hargittai, M. Molecular structure of metal halides. Chem. Rev. 2000, 100, 2233-2301.
-
(2000)
Chem. Rev
, vol.100
, pp. 2233-2301
-
-
Hargittai, M.1
-
5
-
-
0032489809
-
Gallium tribromide: Molecular geometry of monomer and dimer from gas-phase electron diffraction
-
Réffy, B.; Kolonits, M.; Hargittai, M. Gallium tribromide: Molecular geometry of monomer and dimer from gas-phase electron diffraction. J. Mol. Struct. 1998, 445, 139-148.
-
(1998)
J. Mol. Struct
, vol.445
, pp. 139-148
-
-
Réffy, B.1
Kolonits, M.2
Hargittai, M.3
-
6
-
-
0000353621
-
Unusual dimer structures of the heavier alkaline earth dihalides: A density functional study
-
Levy, J. B.; Hargittai, M. Unusual dimer structures of the heavier alkaline earth dihalides: A density functional study. J. Phys. Chem. A 2000, 104, 1950-1958.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 1950-1958
-
-
Levy, J.B.1
Hargittai, M.2
-
7
-
-
0034607337
-
Intriguing gold trifluoride - Molecular structure of monomers and dimers: An electron diffraction anc quantum chemical study
-
Réffy, B.; Kolonits, M.; Schulz, A.; Klapötke, T. M.; Hargittai, M. Intriguing gold trifluoride - Molecular structure of monomers and dimers: An electron diffraction anc quantum chemical study. J. Am. Chem. Soc. 2000, 122, 3127-3134.
-
(2000)
J. Am. Chem. Soc
, vol.122
, pp. 3127-3134
-
-
Réffy, B.1
Kolonits, M.2
Schulz, A.3
Klapötke, T.M.4
Hargittai, M.5
-
9
-
-
0035853939
-
The molecular structure of barium dibromide: An electron diffraction and quantum chemical study
-
Hargittai, M.; Kolonits, M.; Schultz, G. The molecular structure of barium dibromide: An electron diffraction and quantum chemical study. J. Mol. Struct. 2001, 567, 241-246.
-
(2001)
J. Mol. Struct
, vol.567
, pp. 241-246
-
-
Hargittai, M.1
Kolonits, M.2
Schultz, G.3
-
10
-
-
0035801348
-
6 (X = F, Cl, Br, I)
-
6 (X = F, Cl, Br, I). Chem.. - Eur. J. 2001, 7, 3657-3670.
-
(2001)
Chem.. - Eur. J
, vol.7
, pp. 3657-3670
-
-
Schulz, A.1
Hargittai, M.2
-
11
-
-
0347926100
-
The molecular structure of different species of cuprous chloride from gas-phase electron diffraction and quantum chemical calculations
-
Hargittai, M.; Schwerdtfeger, P.; Réffy, B.; Brown, R. The molecular structure of different species of cuprous chloride from gas-phase electron diffraction and quantum chemical calculations. Chem. - Eur. J. 2003, 9, 327-333.
-
(2003)
Chem. - Eur. J
, vol.9
, pp. 327-333
-
-
Hargittai, M.1
Schwerdtfeger, P.2
Réffy, B.3
Brown, R.4
-
12
-
-
0347578186
-
Structure and thermodynamics of the tin dichloride dimer - A computational study
-
Levy, J. B.; Jancsó, G.; Hargittai, M. Structure and thermodynamics of the tin dichloride dimer - A computational study. J. Phys. Chem. A 2003, 107, 10450-10455.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 10450-10455
-
-
Levy, J.B.1
Jancsó, G.2
Hargittai, M.3
-
13
-
-
0038738104
-
Molecular geometry of monomeric and dimeric yttrium trichloride from gas-phase electron diffraction and quantum chemical calculations
-
Reffy, B.; Marsden, C. J.; Hargittai, M. Molecular geometry of monomeric and dimeric yttrium trichloride from gas-phase electron diffraction and quantum chemical calculations. J. Phys. Chem. A 2003, 107, 1840-1849.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 1840-1849
-
-
Reffy, B.1
Marsden, C.J.2
Hargittai, M.3
-
14
-
-
4344679384
-
Molecular structure and thermochemistry of tin dibromide monomers and dimers. A computational and electron diffraction study
-
Kolonits, M.; Réffy, B.; Jancsó, G.; Hargittai, M. Molecular structure and thermochemistry of tin dibromide monomers and dimers. A computational and electron diffraction study. J. Phys. Chem. A 2004, 108, 6778-6783.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6778-6783
-
-
Kolonits, M.1
Réffy, B.2
Jancsó, G.3
Hargittai, M.4
-
15
-
-
16844365616
-
High-temperature gas-phase electron diffraction: Unexpected dimer structures among metal halides
-
Hargittai, M. High-temperature gas-phase electron diffraction: Unexpected dimer structures among metal halides. Struct. Chem. 2005, 16, 33-40.
-
(2005)
Struct. Chem
, vol.16
, pp. 33-40
-
-
Hargittai, M.1
-
16
-
-
20444370200
-
3 (X = F, Cl, Br, I)
-
Chem. Soc
-
3 (X = F, Cl, Br, I). J. Am. Chem. Soc. 2005, 127, 8133-8145.
-
(2005)
J. Am
, vol.127
, pp. 8133-8145
-
-
Muller-Rosing, H.-C.1
Schulz, A.2
Hargittai, M.3
-
19
-
-
33745728179
-
4 complex: Its molecular structure and thermodynamic properties
-
4 complex: Its molecular structure and thermodynamic properties. Struct. Chem. 2006, 17, 225-233.
-
(2006)
Struct. Chem
, vol.17
, pp. 225-233
-
-
Varga, Z.1
Hargittai, M.2
-
20
-
-
33847141094
-
Molecular constants of aluminum monohalides: Caveats for computations of simple inorganic molecules
-
Hargittai, M.; Varga, Z. Molecular constants of aluminum monohalides: Caveats for computations of simple inorganic molecules. J. Phys. Chem. A 2007, 111, 6-8.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 6-8
-
-
Hargittai, M.1
Varga, Z.2
-
21
-
-
36248932059
-
Vapor phase tin diiodide: Its structure and thermodynamics, a computational study
-
Neizer, Z.; Varga, Z.; Jancsó, G.; Hargittai, M. Vapor phase tin diiodide: Its structure and thermodynamics, a computational study. Struct. Chem. 2007, 18, 641-648.
-
(2007)
Struct. Chem
, vol.18
, pp. 641-648
-
-
Neizer, Z.1
Varga, Z.2
Jancsó, G.3
Hargittai, M.4
-
22
-
-
39749168608
-
-
Lanza, G.; Varga, Z.; Kolonits, M.; Hargittai, M. On the effect of 4f electrons on the structural characteristics of lanthanide trihalides. Computational and electron diffraction study of dysprosium trichloride. J. Chem. Phys. 2008, 128, 0743011-14.
-
Lanza, G.; Varga, Z.; Kolonits, M.; Hargittai, M. On the effect of 4f electrons on the structural characteristics of lanthanide trihalides. Computational and electron diffraction study of dysprosium trichloride. J. Chem. Phys. 2008, 128, 0743011-14.
-
-
-
-
24
-
-
0000191114
-
A theoretical study of bonding in lanthanide trihalides by density functional methods
-
Hargittai, M. Comment on "A theoretical study of bonding in lanthanide trihalides by density functional methods". J. Phys. Chem. A 1999, 103, 7552-7553.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 7552-7553
-
-
Hargittai1
Comment on, M.2
-
25
-
-
84990631050
-
Experimental and computed bond lengths - The importance of their differences
-
Hargittai, M.; Hargittai, I. Experimental and computed bond lengths - The importance of their differences. Int. J. Quantum Chem. 1992, 44, 1057-1067.
-
(1992)
Int. J. Quantum Chem
, vol.44
, pp. 1057-1067
-
-
Hargittai, M.1
Hargittai, I.2
-
26
-
-
65249140827
-
-
Quantum Inorganic Chemistry. Faraday Discuss. 2003, 124, 1-455.
-
Quantum Inorganic Chemistry. Faraday Discuss. 2003, 124, 1-455.
-
-
-
-
27
-
-
33748053990
-
-
Donald, K. J.; Hoffmann, R. Solid memory: Structural preferences in group 2 dihalide monomers, dimers, and solids. J. Am. Chem. Soc. 2006, 128, 11236-11249.
-
Donald, K. J.; Hoffmann, R. Solid memory: Structural preferences in group 2 dihalide monomers, dimers, and solids. J. Am. Chem. Soc. 2006, 128, 11236-11249.
-
-
-
-
28
-
-
66149130752
-
Does the f electron configuration affect molecular geometries? A joint computational, vibrational spectroscopic, and electron diffraction study of dysprosium tribromide
-
submitted for publication
-
Groen, C. P.; Varga, Z.; Kolonits, M.; Peterson, K. A.; Hargittai, M. Does the f electron configuration affect molecular geometries? A joint computational, vibrational spectroscopic, and electron diffraction study of dysprosium tribromide. Inorg. Chem., submitted for publication.
-
Inorg. Chem
-
-
Groen, C.P.1
Varga, Z.2
Kolonits, M.3
Peterson, K.A.4
Hargittai, M.5
-
29
-
-
58649095924
-
Group 12 dihalides. Structural predilections from gases to solids
-
Donald, K. J.; Hargittai, M.; Hoffmann, R. Group 12 dihalides. Structural predilections from gases to solids. Chem. - Eur. J. 2008, 15, 158-177.
-
(2008)
Chem. - Eur. J
, vol.15
, pp. 158-177
-
-
Donald, K.J.1
Hargittai, M.2
Hoffmann, R.3
-
31
-
-
0038218089
-
Relativistic effects in structural chemistry
-
Pyykko, P. Relativistic effects in structural chemistry. Chem. Rev. 1988, 88, 563-594.
-
(1988)
Chem. Rev
, vol.88
, pp. 563-594
-
-
Pyykko, P.1
-
32
-
-
65249182302
-
-
Manuscript in preparation
-
Varga, Z.; Hargittai, M. Manuscript in preparation, 2008.
-
(2008)
-
-
Varga, Z.1
Hargittai, M.2
-
33
-
-
33748417397
-
Calculated lanthanide contractions for molecular trihalides and fully hydrated ions: The contributions from relativity and 4f-shell hybridization
-
Clavaguera, C.; Dognon, J. P.; Pyykko, P. Calculated lanthanide contractions for molecular trihalides and fully hydrated ions: The contributions from relativity and 4f-shell hybridization. Chem. Phys. Lett. 2006, 429, 8-12.
-
(2006)
Chem. Phys. Lett
, vol.429
, pp. 8-12
-
-
Clavaguera, C.1
Dognon, J.P.2
Pyykko, P.3
-
34
-
-
33748708255
-
Orbital disproportionation and spin crossover as a pseudo Jahn-Teller effect
-
Garcia-Fernandez, P.; Bersuker, I. B.; Boggs, J. E. Orbital disproportionation and spin crossover as a pseudo Jahn-Teller effect. J. Chem. Phys. 2006, 125, 104102.
-
(2006)
J. Chem. Phys
, vol.125
, pp. 104102
-
-
Garcia-Fernandez, P.1
Bersuker, I.B.2
Boggs, J.E.3
-
36
-
-
0342863720
-
Chromium dichloride: The unusually flat bending potential of the (5)Pi(g)-derived B-5(2) ground state
-
Jensen, V. R. Chromium dichloride: The unusually flat bending potential of the (5)Pi(g)-derived B-5(2) ground state. Mol. Phys. 1997, 91, 131-137.
-
(1997)
Mol. Phys
, vol.91
, pp. 131-137
-
-
Jensen, V.R.1
-
37
-
-
53249098929
-
Predicting molecules - More realism, please!
-
Hoffmann, R.; Schleyer, P. v. R.; Schaefer, H. F., III. Predicting molecules - More realism, please! Angew. Chem., Int. Ed 2008, 47, 7164-7167.
-
(2008)
Angew. Chem., Int. Ed
, vol.47
, pp. 7164-7167
-
-
Hoffmann, R.1
Schleyer, P.V.R.2
Schaefer III, H.F.3
-
38
-
-
33751237100
-
Coinage metal halide clusters: From two-dimensional ring to three-dimensional solid-state-like structures
-
Krawczyk, R. P.; Hammerl, A.; Schwerdtfeger, P. Coinage metal halide clusters: From two-dimensional ring to three-dimensional solid-state-like structures. ChemPhysChem 2006, 7, 2286-2289.
-
(2006)
ChemPhysChem
, vol.7
, pp. 2286-2289
-
-
Krawczyk, R.P.1
Hammerl, A.2
Schwerdtfeger, P.3
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