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Equilibrium structures of the tetramezine diastereomers and their ratio: joint analysis of gas phase electron diffraction, quantum chemistry, and spectroscopic data
Leonid S. Khaikin, Igor V. Kochikov, Anatoliy N. Rykov, et al. Physical Chemistry Chemical Physics 21(10) 5598 (2019) https://doi.org/10.1039/C8CP07607C
Molecular structure and internal rotation of CH2Cl group of chloropropanone oxime: gas electron diffraction, microwave spectroscopy, and quantum chemical calculation studies
Molecular Structure and Internal Rotation of CF3 Group of Methyl Trifluoroacetate: Gas Electron Diffraction, Microwave Spectroscopy, and Quantum Chemical Calculation Studies
Nobuhiko Kuze, Atsushi Ishikawa, Maho Kono, et al. The Journal of Physical Chemistry A 119(9) 1774 (2015) https://doi.org/10.1021/jp508447b
A study of the structure and conformation of 1,1-dicyclopropylethene by gas electron diffraction and ab initio calculations
Molecular structure and conformation of triphenylsilane from gas-phase electron diffraction and theoretical calculations, and structural variations in H4−n SiPh n molecules (n = 1–4)
Molecular Structure and Benzene Ring Deformation of Three Cyanobenzenes from Gas-Phase Electron Diffraction and Quantum Chemical Calculations
Anna Rita Campanelli, Aldo Domenicano, Fabio Ramondo and István Hargittai The Journal of Physical Chemistry A 112(43) 10998 (2008) https://doi.org/10.1021/jp803425h
Molecular structure of trans-cinnamaldehyde as determined by gas electron diffraction aided by DFT calculations
Molecular Structure and Benzene Ring Deformation of Three Ethynylbenzenes from Gas-Phase Electron Diffraction and Quantum Chemical Calculations
Anna Rita Campanelli, Antonio Arcadi, Aldo Domenicano, Fabio Ramondo and István Hargittai The Journal of Physical Chemistry A 110(5) 2045 (2006) https://doi.org/10.1021/jp058174w
Molecular structure of caffeine as determined by gas electron diffraction aided by theoretical calculations
Structural Determination of Menthol and Isomenthol, a Minty Compound and Its Nonminty Isomer, by Means of Gas Electron Diffraction Augmented by Theoretical Calculations
Toru Egawa, Minoru Sakamoto, Hiroshi Takeuchi and Shigehiro Konaka The Journal of Physical Chemistry A 107(15) 2757 (2003) https://doi.org/10.1021/jp022163a
Water Structure from Scattering Experiments and Simulation
Molecular Structure of Nicotine As Studied by Gas Electron Diffraction Combined with Theoretical Calculations
Tsuguhide Takeshima, Risaku Fukumoto, Toru Egawa and Shigehiro Konaka The Journal of Physical Chemistry A 106(37) 8734 (2002) https://doi.org/10.1021/jp020328+
Calculation of X‐ray scattering intensities by means of the coupled cluster singles and doubles model
Noboru Watanabe, Yohei Kamata, Kota Yamauchi and Yasuo Udagawa Journal of Computational Chemistry 22(13) 1315 (2001) https://doi.org/10.1002/jcc.1089
Effects of Molecular Structure on the Stability of a Thermotropic Liquid Crystal. Gas Electron Diffraction Study of the Molecular Structure of Phenyl Benzoate
Takemasa Tsuji, Hiroshi Takeuchi, Toru Egawa and Shigehiro Konaka Journal of the American Chemical Society 123(26) 6381 (2001) https://doi.org/10.1021/ja010192d
The Molecular Structure of 3-tert-Butyl-4,4-dimethyl-2-pentenal (3,3-Di-tert-butylpropenal)
Stereoelectronic Effects in the Si−C Bond: A Study of the Molecular Structure and Conformation of Tetraphenylsilane by Gas-Phase Electron Diffraction and Theoretical Calculations
Anna Rita Campanelli, Fabio Ramondo, Aldo Domenicano and István Hargittai The Journal of Physical Chemistry A 105(24) 5933 (2001) https://doi.org/10.1021/jp010259j
Molecular Structure and Torsional Potential of trans-Azobenzene. A Gas Electron Diffraction Study
Takemasa Tsuji, Hiroyuki Takashima, Hiroshi Takeuchi, Toru Egawa and Shigehiro Konaka The Journal of Physical Chemistry A 105(41) 9347 (2001) https://doi.org/10.1021/jp004418v
Molecular Structure of 2-Butanimine, an Unstable Imine, as Studied by Gas Electron Diffraction Combined with MP2 and DFT Calculations
Structural and Conformational Studies of N,N-Dichloroethanamine and N,N-Dichloro-2-propanamine by Gas Electron Diffraction Combined with ab Initio Calculations
Toru Egawa, Masataka Ohtsubo, Hideki Nakagawa, et al. The Journal of Physical Chemistry A 104(6) 1311 (2000) https://doi.org/10.1021/jp993053f
Molecular structure of trans-azoxybenzene determined by gas electron diffraction combined with ab initio calculations
Reinvestigation of molecular structure and conformation of gaseous l -alanine by joint analysis using electron diffraction data and rotational constants
Gas-Phase Molecular Structure of MBBA (4-Methoxybenzylidene-4‘-n-butylaniline), a Mesogen, by Electron Diffraction Combined with ab Initio Calculations
Nobuhiko Kuze, Hideo Fujiwara, Hiroshi Takeuchi, et al. The Journal of Physical Chemistry A 103(16) 3054 (1999) https://doi.org/10.1021/jp9841384
Molecular structure of benzamide as studied by gas-phase electron diffraction
Size-extensive calculations of static structure factors from the coupled cluster singles and doubles model
Noboru Watanabe, Seiichiro Ten-no, Sourav Pal, Suehiro Iwata and Yasuo Udagawa The Journal of Chemical Physics 111(3) 827 (1999) https://doi.org/10.1063/1.479369
Molecular structure and conformation of methyl methacrylate determined by gas electron diffraction
Investigation of Pyrolysis Products of Propylenimine by Gas Electron Diffraction Combined with ab Initio Calculations. Molecular Structures of CH3−NH−CHCH2 and CH3−NCH−CH3
Hideo Fujiwara, Toru Egawa and Shigehiro Konaka Journal of the American Chemical Society 119(6) 1346 (1997) https://doi.org/10.1021/ja961063d
A differential anomalous X‐ray scattering study of the formation of lead zirconate titanate via sol‐gel process
R. Beudert, H. Bertagnolli, D. Gutwerk, U. Kolb and J. Weigelt Berichte der Bunsengesellschaft für physikalische Chemie 101(6) 884 (1997) https://doi.org/10.1002/bbpc.19971010603
Progress on high precision calculations for the ground state of atomic lithium
Rotational Isomers and Molecular Structures of (E)-Propionaldehyde Oxime as Studied from Electron Diffraction and Microwave Spectroscopic Data
Kinya Iijima, Mayumi Matsuoka, Takeshi Sakaizumi and Osamu Ohashi Bulletin of the Chemical Society of Japan 69(9) 2481 (1996) https://doi.org/10.1246/bcsj.69.2481
Internal rotation and barrier height of CC13 group in trichloromethylbenzene as studied by gas-phase electron diffraction
A differential anomalous X‐ray scattering study of lead(II)acetate trihydrate in 2‐methoxyethanol
R. Beudert, S. Batschkowitsch, H. Bertagnolli, D. Gutwerk, U. Kolb and J. Weigelt Berichte der Bunsengesellschaft für physikalische Chemie 100(10) 1706 (1996) https://doi.org/10.1002/bbpc.19961001007
Intramolecular Hydrogen Bonding and Molecular Structure of 2,5-Dihydroxyterephthalaldehyde and 4,6-Dihydroxyisophthalaldehyde: A Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Study
Konstantin B. Borisenko, Károly Zauer and István Hargittai The Journal of Physical Chemistry 100(50) 19303 (1996) https://doi.org/10.1021/jp9620072
Molecular structure of 3-methylthiophene studied by gas electron diffraction combined with microwave spectroscopic data
Molecular structure of 2-methylthiophene studied by gas electron diffraction combined with microwave spectroscopic data
Masayuki Tanabe, Nobuhiko Kuze, Hideo Fujiwara, Hiroshi Takeuchi and Shigehiro Konaka Journal of Molecular Structure 372(2-3) 173 (1995) https://doi.org/10.1016/0022-2860(95)09022-3
The molecular structure of diphenylchloroborane studied by gas-phase electron diffraction and ab initio MO calculations including computational studies of conformational preferences and quadratic force fields
The molecular structure and quadratic force field of tetramethylbutatriene (2,5-dimethyl-2,3,4-hexatriene) studied by gas-phase electron diffraction and ab initio MO calculations, and adjunct ab initio studies of butatriene
Preparation of N(SeCl)2+X–(X = SbCl6or FeCl4), F3CCSeNSeCCF3+SbCl6–, F3CCSeNSeCCF3, F3CCSeNSeCCF3and F3CCSeSeC(CF3)C(CF3)SeSeCCF3. Electron diffraction study of F3CCSeSeCCF3and crystal structure of the eight-membered heterocycle F3CCSeSeC(CF3)C(CF3)SeSeCCF3
Konstantin B. Borisenko, Matthias Broschag, István Hargittai, et al. J. Chem. Soc., Dalton Trans. (18) 2705 (1994) https://doi.org/10.1039/DT9940002705
Molecular structure of N-methylpyrrole as determined by gas electron diffraction and ab initio calculations
The shape of alkaline earth dihalide molecules: The molecular geometry of strontium dibromide from electron diffraction
Magdolna Hargittai, Mária Kolonits, Dezsö Knausz and István Hargittai The Journal of Chemical Physics 96(12) 8980 (1992) https://doi.org/10.1063/1.462255
Trimethylamine N-oxide, structure and bonding investigated by gas electron diffraction and ab initio MO calculations
Molecular structure of first-row transition metal dihalides from combined electron diffraction and vibrational spectroscopic analysis
Magdolna Hargittai, Natalya Yu. Subbotina, Maria Kolonits and Alexander G. Gershikov The Journal of Chemical Physics 94(11) 7278 (1991) https://doi.org/10.1063/1.460212
Molecular structure and confirmation of ethyl acetate as studied by gas electron diffraction