-
1
-
-
0001715962
-
Chemical Shifts in Silatrane and its Derivatives: A Study of the Transannular Interaction
-
Iwamiya, J. H.; Maciel, G. E. Chemical Shifts in Silatrane and its Derivatives: a Study of the Transannular Interaction J. Am. Chem. Soc. 1993, 115, 6835-6842
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 6835-6842
-
-
Iwamiya, J.H.1
Maciel, G.E.2
-
2
-
-
0347365961
-
Main Group Atranes: Chemical and Structural Features
-
Verkade, J. G. Main Group Atranes: Chemical and Structural Features Coord. Chem. Rev. 1994, 137, 233-295
-
(1994)
Coord. Chem. Rev.
, vol.137
, pp. 233-295
-
-
Verkade, J.G.1
-
3
-
-
0002726983
-
The Structure and Properties of Hypervalent Silicon Compounds with a Soft Coordination Center
-
Marciniec, B. Chojnowski, J. Gordon and Breach: New York - 82
-
Pestunovich, V. A.; Sidorkin, V. F.; Voronkov, M. G. The Structure and Properties of Hypervalent Silicon Compounds with a Soft Coordination Center. In Progress in Organosilicon Chemistry; Marciniec, B.; Chojnowski, J., Eds.; Gordon and Breach: New York, 1995; pp 69-82.
-
(1995)
Progress in Organosilicon Chemistry
, pp. 69
-
-
Pestunovich, V.A.1
Sidorkin, V.F.2
Voronkov, M.G.3
-
4
-
-
0000248075
-
Silatranes and their Analogs
-
Rappoport, Z. Apeloig, Y. Wiley: Chichester, U.K. Vol. - 1537
-
Pestunovich, V.; Kirpichenko, S.; Voronkov, M. Silatranes and their Analogs. In The Chemistry of Organic Silicon Compounds; Rappoport, Z.; Apeloig, Y., Eds.; Wiley: Chichester, U.K., 1998; Vol. 2, pp 1447-1537.
-
(1998)
The Chemistry of Organic Silicon Compounds
, vol.2
, pp. 1447
-
-
Pestunovich, V.1
Kirpichenko, S.2
Voronkov, M.3
-
5
-
-
79951933024
-
Silatranes: A Review on their Synthesis, Structure, Reactivity and Applications
-
Puri, J. K.; Singh, R.; Chahal, V. K. Silatranes: a Review on their Synthesis, Structure, Reactivity and Applications Chem. Soc. Rev. 2011, 40, 1791-1840
-
(2011)
Chem. Soc. Rev.
, vol.40
, pp. 1791-1840
-
-
Puri, J.K.1
Singh, R.2
Chahal, V.K.3
-
6
-
-
0000739604
-
The Structure of Methyl Silatrane (l-Methyl-2,8,9-trioxa-5-aza-l- silabicyclo(3.3.3)undecane) as Determined by Gas Phase Electron Diffraction
-
Shen, Q.; Hilderbrandt, R. L. The Structure of Methyl Silatrane (l-Methyl-2,8,9-trioxa-5-aza-l-silabicyclo(3.3.3)undecane) as Determined by Gas Phase Electron Diffraction J. Mol. Struct. 1980, 64, 257-262
-
(1980)
J. Mol. Struct.
, vol.64
, pp. 257-262
-
-
Shen, Q.1
Hilderbrandt, R.L.2
-
7
-
-
34249961891
-
The Gas-Phase Molecular Structure of 1-Fluorosilatrane from Electron Diffraction
-
Forgacs, G.; Kolonits, M.; Hargittai, I. The Gas-Phase Molecular Structure of 1-Fluorosilatrane from Electron Diffraction Struct. Chem. 1990, 1, 245-250
-
(1990)
Struct. Chem.
, vol.1
, pp. 245-250
-
-
Forgacs, G.1
Kolonits, M.2
Hargittai, I.3
-
8
-
-
3543098094
-
Molecular Structure of Silatrane Determined by Gas Electron Diffraction and Quantum-Mechanical Calculations
-
Shishkov, I. F.; Khristenko, L. V.; Rudakov, F. M.; Golubinskii, A. V.; Vilkov, L. V.; Karlov, S. S.; Zaitseva, G. S.; Samdal, S. Molecular Structure of Silatrane Determined by Gas Electron Diffraction and Quantum-Mechanical Calculations Struct. Chem. 2004, 15, 11-16
-
(2004)
Struct. Chem.
, vol.15
, pp. 11-16
-
-
Shishkov, I.F.1
Khristenko, L.V.2
Rudakov, F.M.3
Golubinskii, A.V.4
Vilkov, L.V.5
Karlov, S.S.6
Zaitseva, G.S.7
Samdal, S.8
-
9
-
-
77649268516
-
Chemical Bonding in the Crystal Structure of 1-Hydrosilatrane
-
Korlyukov, A. A.; Antipin, M. Yu.; Bolgova, Yu. I.; Trofimova, O. M.; Voronkov, M. G. Chemical Bonding in the Crystal Structure of 1-Hydrosilatrane Izv. Akad. Nauk SSSR, Ser. Khim. 2009, 25-30
-
(2009)
Izv. Akad. Nauk SSSR, Ser. Khim.
, pp. 25-30
-
-
Korlyukov, A.A.1
Antipin, M.Yu.2
Bolgova, Yu.I.3
Trofimova, O.M.4
Voronkov, M.G.5
-
11
-
-
0005748482
-
Medium Effect on the Structure of Pentacoordinate Silicon-Compounds with X-Si-N Hypervalent Bond
-
Sidorkin, V. F.; Balakhchi, G. K.; Voronkov, M. G.; Pestunovich, V. A. Medium Effect on the Structure of Pentacoordinate Silicon-Compounds with X-Si-N Hypervalent Bond Dokl. Akad. Nauk SSSR 1987, 296, 113-117
-
(1987)
Dokl. Akad. Nauk SSSR
, vol.296
, pp. 113-117
-
-
Sidorkin, V.F.1
Balakhchi, G.K.2
Voronkov, M.G.3
Pestunovich, V.A.4
-
13
-
-
84879614552
-
-
Chem. Abstr. 1988, 108, 204679.
-
(1988)
Chem. Abstr.
, vol.108
, pp. 204679
-
-
-
14
-
-
0000280160
-
Structural Trends in Silicon Atranes
-
Schmidt, M. W.; Windus, T. L.; Gordon, M. S. Structural Trends in Silicon Atranes J. Am. Chem. Soc. 1995, 117, 7480-7486
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7480-7486
-
-
Schmidt, M.W.1
Windus, T.L.2
Gordon, M.S.3
-
15
-
-
0002020062
-
Partially Bonded Molecules from the Solid State to the Stratosphere
-
The anomalous sensitivity of geometry to the medium effects is not unique to the pentacoordinate silicon compounds. Some donor-acceptor complexes of organic and inorganic derivatives of the main group elements possess analogous properties. See review: and references therein - 64
-
The anomalous sensitivity of geometry to the medium effects is not unique to the pentacoordinate silicon compounds. Some donor-acceptor complexes of organic and inorganic derivatives of the main group elements possess analogous properties. See review: Leopold, K. R.; Canagaratna, M.; Phillips, J. A. Partially Bonded Molecules from the Solid State to the Stratosphere Acc. Chem. Res. 1997, 30, 57-64 and references therein
-
(1997)
Acc. Chem. Res.
, vol.30
, pp. 57
-
-
Leopold, K.R.1
Canagaratna, M.2
Phillips, J.A.3
-
16
-
-
49549140130
-
The Acid Catalysed Solvolysis of 1-Organosilatranes
-
Daneshrad, A.; Eaborn, C.; Eidenschink, R.; Walton, D. R. M. The Acid Catalysed Solvolysis of 1-Organosilatranes J. Organomet. Chem. 1975, 90, 139-144
-
(1975)
J. Organomet. Chem.
, vol.90
, pp. 139-144
-
-
Daneshrad, A.1
Eaborn, C.2
Eidenschink, R.3
Walton, D.R.M.4
-
17
-
-
84879630030
-
N-15 NMR Spectroscopic Determination of the Si-N Bond Length in 1-Halosilatranes
-
Pestunovich, V. A.; Shterenberg, B. Z.; Petukhov, L. P.; Rakhlin, V. I.; Baryshok, V. P.; Mirskov, R. G.; Voronkov, M. G. N-15 NMR Spectroscopic Determination of the Si-N Bond Length in 1-Halosilatranes Izv. Akad. Nauk SSSR, Ser. Khim. 1985, 1935-1936
-
(1985)
Izv. Akad. Nauk SSSR, Ser. Khim.
, pp. 1935-1936
-
-
Pestunovich, V.A.1
Shterenberg, B.Z.2
Petukhov, L.P.3
Rakhlin, V.I.4
Baryshok, V.P.5
Mirskov, R.G.6
Voronkov, M.G.7
-
19
-
-
0034660155
-
Trans-Silylation of Silatranes and 1,2-Dimethyl-2-azasilatran-3-one by Si-Substituted Trimethoxysilanes
-
Lazareva, N. F.; Pestunovich, V. A.; Albanov, A. I.; Vesnin, M. G.; Voronkov, M. G. Trans-Silylation of Silatranes and 1,2-Dimethyl-2-azasilatran-3- one by Si-Substituted Trimethoxysilanes Tetrahedron Lett. 2000, 41, 4823-4826
-
(2000)
Tetrahedron Lett.
, vol.41
, pp. 4823-4826
-
-
Lazareva, N.F.1
Pestunovich, V.A.2
Albanov, A.I.3
Vesnin, M.G.4
Voronkov, M.G.5
-
20
-
-
0001475454
-
Toward Reliable Density Functional Methods without Adjustable Parameters: The PBE0 model
-
Adamo, C.; Barone, V. Toward Reliable Density Functional Methods without Adjustable Parameters: The PBE0 model J. Chem. Phys. 1999, 110, 6158-6171
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158-6171
-
-
Adamo, C.1
Barone, V.2
-
21
-
-
0002851019
-
Unified Theory of Exchange and Correlation beyond the Local Density Approximation
-
Ziesche, P. Eschrig, H. Akademie Verlag: Berlin - 20
-
Perdew, J. P. Unified Theory of Exchange and Correlation Beyond the Local Density Approximation. In Electronic Structure of Solids '91; Ziesche, P.; Eschrig, H., Eds.; Akademie Verlag: Berlin, 1991; pp 11-20.
-
(1991)
Electronic Structure of Solids '91
, pp. 11
-
-
Perdew, J.P.1
-
22
-
-
0000189651
-
Density-Functional Thermochemistry. III. The Role of Exact Exchange
-
Becke, A. D. Density-Functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
23
-
-
0037138927
-
Structure and N→Si Bond Characters of 1-Fluorosilatrane and the Silatranyl Cation
-
Lee, H. S.; Bae, C.; Do, Y.; Lee, Y. S. Structure and N→Si Bond Characters of 1-Fluorosilatrane and the Silatranyl Cation Bull. Korean Chem. Soc. 2002, 23, 215-220
-
(2002)
Bull. Korean Chem. Soc.
, vol.23
, pp. 215-220
-
-
Lee, H.S.1
Bae, C.2
Do, Y.3
Lee, Y.S.4
-
24
-
-
16244406816
-
Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton - Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
-
Yamashita, M.; Yamamoto, Y.; Akiba, K.; Hashizume, D.; Iwasaki, F.; Takagi, N.; Nagase, S. Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton-Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation J. Am. Chem. Soc. 2005, 127, 4354-4371
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 4354-4371
-
-
Yamashita, M.1
Yamamoto, Y.2
Akiba, K.3
Hashizume, D.4
Iwasaki, F.5
Takagi, N.6
Nagase, S.7
-
25
-
-
76249085875
-
Dianionic Species with a Bond Consisting of Two Pentacoordinated Silicon Atoms
-
Kano, N.; Miyake, H.; Sasaki, K.; Kawashima, T.; Mizorogi, N.; Nagase, S. Dianionic Species with a Bond Consisting of Two Pentacoordinated Silicon Atoms Nat. Chem. 2010, 2, 112-116
-
(2010)
Nat. Chem.
, vol.2
, pp. 112-116
-
-
Kano, N.1
Miyake, H.2
Sasaki, K.3
Kawashima, T.4
Mizorogi, N.5
Nagase, S.6
-
26
-
-
79953166054
-
A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond
-
Hirano, Y.; Kojima, S.; Yamamoto, Y. A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond J. Org. Chem. 2011, 76, 2123-2131
-
(2011)
J. Org. Chem.
, vol.76
, pp. 2123-2131
-
-
Hirano, Y.1
Kojima, S.2
Yamamoto, Y.3
-
27
-
-
43049141516
-
The M06 Suite of Density Functionals for Main Group Thermochemistry, Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06 Functionals and Twelve Other Functionals
-
Zhao, Y.; Truhlar, D. G. The M06 Suite of Density Functionals for Main Group Thermochemistry, Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06 Functionals and Twelve Other Functionals Theor. Chem. Acc. 2008, 120, 215-241
-
(2008)
Theor. Chem. Acc.
, vol.120
, pp. 215-241
-
-
Zhao, Y.1
Truhlar, D.G.2
-
28
-
-
84961980743
-
COSMO: A New Approach to Dielectric Screening in Solvents with Explicit Expressions for the Screening Energy and Its Gradient
-
Klamt, A.; Schüürmann, G. COSMO: a New Approach to Dielectric Screening in Solvents with Explicit Expressions for the Screening Energy and Its Gradient J. Chem. Soc., Perkin Trans. 2 1993, 799-805
-
(1993)
J. Chem. Soc., Perkin Trans. 2
, pp. 799-805
-
-
Klamt, A.1
Schüürmann, G.2
-
29
-
-
84961985847
-
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
-
Barone, V.; Cossi, M. Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model J. Phys. Chem. A 1998, 102, 1995-2001
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1995-2001
-
-
Barone, V.1
Cossi, M.2
-
30
-
-
84962349001
-
Energies, Structures, and Electronic Properties of Molecules in Solution with the C-PCM Solvation Model, Journal of Computational Chemistry
-
Cossi, M.; Rega, N.; Scalmani, G.; Barone, V. Energies, Structures, and Electronic Properties of Molecules in Solution with the C-PCM Solvation Model, Journal of Computational Chemistry J. Comput. Chem. 2003, 24, 669-681
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 669-681
-
-
Cossi, M.1
Rega, N.2
Scalmani, G.3
Barone, V.4
-
31
-
-
34250365316
-
The Supermolecule Approach to the Solvation Problem
-
Daudel, R. Pullman, A. Salem, L. Veillard, A. Reidel: Amsterdam, Vol. - 24
-
Pullman, A. The Supermolecule Approach to the Solvation Problem. In Quantum Theory of Chemical Reaction. Solvent Effect, Reaction Mechanisms, Photochemical Processes; Daudel, R.; Pullman, A.; Salem, L.; Veillard, A., Eds.; Reidel: Amsterdam, 1980; Vol. 2, pp 1-24.
-
(1980)
Quantum Theory of Chemical Reaction. Solvent Effect, Reaction Mechanisms, Photochemical Processes
, vol.2
, pp. 1
-
-
Pullman, A.1
-
32
-
-
0003155891
-
From van der Waals to Strongly Bound Complexes
-
Scheiner, S. John Wiley and Sons: Chichester, U.K. - 104
-
Van Duijneveldt, F. B. From van der Waals to Strongly Bound Complexes. In Molecular Interactions; Scheiner, S., Ed.; John Wiley and Sons: Chichester, U.K., 1997; pp 81-104.
-
(1997)
Molecular Interactions
, pp. 81
-
-
Van Duijneveldt, F.B.1
-
33
-
-
0004844334
-
Basis Set Superposition Errors: Theory and Practice
-
Kestner, N. R.; Combariza, J. E. Basis Set Superposition Errors: Theory and Practice Rev. Comput. Chem. 1999, 13, 99-132
-
(1999)
Rev. Comput. Chem.
, vol.13
, pp. 99-132
-
-
Kestner, N.R.1
Combariza, J.E.2
-
34
-
-
40749094858
-
Self-consistent Perturbation Theory of Diamagnetism. I. A Gauge-Invariant LCAO (Linear Combination of Atomic Orbitals) Method for NMR Chemical Shifts
-
Ditchfield, R. Self-consistent Perturbation Theory of Diamagnetism. I. A Gauge-Invariant LCAO (Linear Combination of Atomic Orbitals) Method for NMR Chemical Shifts Mol. Phys. 1974, 27, 789-807
-
(1974)
Mol. Phys.
, vol.27
, pp. 789-807
-
-
Ditchfield, R.1
-
35
-
-
11744305193
-
Efficient Implementation of the Gauge-independent Atomic Orbital Method for NMR Chemical Shift Calculations
-
Wolinski, K.; Hinton, J. F.; Pulay, P. Efficient Implementation of the Gauge-independent Atomic Orbital Method for NMR Chemical Shift Calculations J. Am. Chem. Soc. 1990, 112, 8251-8260
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 8251-8260
-
-
Wolinski, K.1
Hinton, J.F.2
Pulay, P.3
-
36
-
-
0000389614
-
Theories of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities
-
Kutzelnigg, W. Theories of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities Isr. J. Chem. 1980, 19, 193-200
-
(1980)
Isr. J. Chem.
, vol.19
, pp. 193-200
-
-
Kutzelnigg, W.1
-
37
-
-
1842285126
-
Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities. II. Application to Some Simple Molecules
-
Schindler, M.; Kutzelnigg, W. Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities. II. Application to Some Simple Molecules J. Chem. Phys. 1982, 76, 1919-1933
-
(1982)
J. Chem. Phys.
, vol.76
, pp. 1919-1933
-
-
Schindler, M.1
Kutzelnigg, W.2
-
38
-
-
0000572756
-
The IGLO-Method: Ab-initio Calculation and Interpretation of NMR Chemical Shifts and Magnetic Susceptibilities
-
Springer: Berlin/Heidelberg, Vol. - 262
-
Kutzelnigg, W.; Fleischer, U.; Schindler, M. The IGLO-Method: Ab-initio Calculation and Interpretation of NMR Chemical Shifts and Magnetic Susceptibilities. In NMR-Basic Principles and Progress; Springer: Berlin/Heidelberg, 1990; Vol. 23, pp 165-262.
-
(1990)
NMR-Basic Principles and Progress
, vol.23
, pp. 165
-
-
Kutzelnigg, W.1
Fleischer, U.2
Schindler, M.3
-
39
-
-
0000928725
-
Prediction of Nitrogen and Oxygen NMR Chemical Shifts in Organic Compounds by Density Functional Theory
-
Olsson, L.; Cremer, D. Prediction of Nitrogen and Oxygen NMR Chemical Shifts in Organic Compounds by Density Functional Theory J. Phys. Chem. 1996, 100, 16881-16891
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16881-16891
-
-
Olsson, L.1
Cremer, D.2
-
40
-
-
9444290281
-
Effects of Electron Correlation in the Calculation of Nuclear Magnetic Resonance Chemical Shifts
-
Gauss, J. Effects of Electron Correlation in the Calculation of Nuclear Magnetic Resonance Chemical Shifts J. Chem. Phys. 1993, 99, 3629-3643
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 3629-3643
-
-
Gauss, J.1
-
41
-
-
0000584523
-
Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin-Spin Coupling Constants
-
Helgaker, T.; Jaszuński, M.; Ruud, K. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin-Spin Coupling Constants Chem. Rev. 1999, 99, 293-352
-
(1999)
Chem. Rev.
, vol.99
, pp. 293-352
-
-
Helgaker, T.1
Jaszuński, M.2
Ruud, K.3
-
42
-
-
75749113781
-
NMR Chemical Shift Data and Ab Initio Shielding Calculations: Emerging Tools for Protein Structure Determination
-
Mulder, F. A. A.; Filatov, M. NMR Chemical Shift Data and Ab Initio Shielding Calculations: Emerging Tools for Protein Structure Determination Chem. Soc. Rev. 2010, 39, 578-590
-
(2010)
Chem. Soc. Rev.
, vol.39
, pp. 578-590
-
-
Mulder, F.A.A.1
Filatov, M.2
-
43
-
-
84962421686
-
The Hartee-Fock Calculation of the Magnetic Properties of Molecular Solutes
-
Cammi, R. The Hartee-Fock Calculation of the Magnetic Properties of Molecular Solutes J. Chem. Phys. 1998, 109, 3185-3196
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 3185-3196
-
-
Cammi, R.1
-
44
-
-
84962394090
-
Nuclear Magnetic Shieldings in Solution: Gauge Invariant Atomic Orbital Calculation using the Polarizable Continuum Model
-
Cammi, R.; Mennucci, B.; Tomasi, J. Nuclear Magnetic Shieldings in Solution: Gauge Invariant Atomic Orbital Calculation using the Polarizable Continuum Model J. Chem. Phys. 1999, 110, 7627-7638
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7627-7638
-
-
Cammi, R.1
Mennucci, B.2
Tomasi, J.3
-
45
-
-
0001657090
-
Natural Chemical Shielding Analysis of Nuclear Magnetic Resonance Shielding Tensors from Gauge-including Atomic Orbital Calculations
-
Bohmann, J. A.; Weinhold, F.; Farrar, T. C. Natural Chemical Shielding Analysis of Nuclear Magnetic Resonance Shielding Tensors from Gauge-including Atomic Orbital Calculations J. Chem. Phys. 1997, 107, 1173-1184
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 1173-1184
-
-
Bohmann, J.A.1
Weinhold, F.2
Farrar, T.C.3
-
46
-
-
84879642124
-
-
Max-Planck-Insitut für Bioanorganische Chemie: Mülheim and der Ruhr
-
Neese, F. ORCA Version 2.4; Max-Planck-Insitut für Bioanorganische Chemie: Mülheim and der Ruhr, 2004; http://www.thch.uni-bonn.de/tc/orca/.
-
(2004)
ORCA Version 2.4
-
-
Neese, F.1
-
47
-
-
70450206724
-
-
Revision C.01; Gaussian, Inc. Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, Revision C.01; Gaussian, Inc., Wallingford, CT, 2010.
-
(2010)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
48
-
-
33748880858
-
Pentacoordinate Anionic Bis-siliconates Containing a Fluoride Bridge between Two Silicon Atoms. 1. Synthesis, Solid State Structures and Dynamic Behavior in Solution
-
Tamao, K.; Hayashi, T.; Ito, Y.; Shiro, M. Pentacoordinate Anionic Bis-siliconates Containing a Fluoride Bridge between Two Silicon Atoms. 1. Synthesis, Solid State Structures and Dynamic Behavior in Solution Organometallics 1992, 11, 2099-2114
-
(1992)
Organometallics
, vol.11
, pp. 2099-2114
-
-
Tamao, K.1
Hayashi, T.2
Ito, Y.3
Shiro, M.4
-
49
-
-
0001323220
-
The Structure of 1-Chlorosilatrane: An Ab Initio Molecular Orbital and a Density Functional Theory Study
-
Csonka, G. I.; Hencsei, P. The Structure of 1-Chlorosilatrane: An Ab Initio Molecular Orbital and a Density Functional Theory Study J. Comput. Chem. 1996, 17, 767-780
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 767-780
-
-
Csonka, G.I.1
Hencsei, P.2
-
50
-
-
0037051626
-
Synthesis, Structure, and Bonding Properties of 5-Carbaphosphatranes: A New Class of Main Group Atrane
-
Kobayashi, J.; Goto, K.; Kawashima, T.; Schmidt, M. W.; Nagase, S. Synthesis, Structure, and Bonding Properties of 5-Carbaphosphatranes: A New Class of Main Group Atrane J. Am. Chem. Soc. 2002, 124, 3703-3712
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 3703-3712
-
-
Kobayashi, J.1
Goto, K.2
Kawashima, T.3
Schmidt, M.W.4
Nagase, S.5
-
51
-
-
0000287871
-
Inductive Effects in Neutral Pentacoordinated Silicon Compounds Containing a Si←N Dative Bond. A Theoretical Study
-
Anglada, J. M.; Bo, C.; Bofill, J. M.; Crehuet, R.; Poblet, J. M. Inductive Effects in Neutral Pentacoordinated Silicon Compounds Containing a Si←N Dative Bond. A Theoretical Study Organometallics 1999, 18, 5584-5593
-
(1999)
Organometallics
, vol.18
, pp. 5584-5593
-
-
Anglada, J.M.1
Bo, C.2
Bofill, J.M.3
Crehuet, R.4
Poblet, J.M.5
-
52
-
-
12444295482
-
Silicon-Nitrogen Bonding in Silatranes: Assignment of Photoelectron Spectra
-
Trofimov, A. B.; Zakrzewski, V. G.; Dolgunicheva, O.; Ortiz, J. V.; Sidorkin, V. F.; Belogolova, E. F.; Belogolov, M.; Pestunovich, V. A. Silicon-Nitrogen Bonding in Silatranes: Assignment of Photoelectron Spectra J. Am. Chem. Soc. 2005, 127, 986-995
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 986-995
-
-
Trofimov, A.B.1
Zakrzewski, V.G.2
Dolgunicheva, O.3
Ortiz, J.V.4
Sidorkin, V.F.5
Belogolova, E.F.6
Belogolov, M.7
Pestunovich, V.A.8
-
53
-
-
84862186282
-
3N (X = F, Cl, H; M = Si, Ge). The Problem of the Theoretical Prediction of Condensed Phase Spectra
-
3N (X = F, Cl, H; M = Si, Ge). The Problem of the Theoretical Prediction of Condensed Phase Spectra Spectrochim. Acta A: Mol. Biomol. Spectrosc. 2012, 95, 37-45
-
(2012)
Spectrochim. Acta A: Mol. Biomol. Spectrosc.
, vol.95
, pp. 37-45
-
-
Ignatyev, I.S.1
Sundius, T.2
-
54
-
-
0037037507
-
Experimental and Theoretical Study of the Transannular Intramolecular Interaction and Cage Effect in the Atrane Framework of Boratrane and 1-Methylsilatrane
-
Korlyukov, A. A.; Lyssenko, K. A.; Antipin, M. Yu.; Kirin, V. N.; Chernyshev, E. A.; Knyazev, S. P. Experimental and Theoretical Study of the Transannular Intramolecular Interaction and Cage Effect in the Atrane Framework of Boratrane and 1-Methylsilatrane Inorg. Chem. 2002, 41, 5043-5051
-
(2002)
Inorg. Chem.
, vol.41
, pp. 5043-5051
-
-
Korlyukov, A.A.1
Lyssenko, K.A.2
Antipin, M.Yu.3
Kirin, V.N.4
Chernyshev, E.A.5
Knyazev, S.P.6
-
55
-
-
0042377533
-
Hypervalent Intramolecular X ← N (X = C, Si, Ge) Coordination in Atranes: Quantum-Chemical Study
-
Milov, A. A.; Minyaev, R. M.; Minkin, V. I. Hypervalent Intramolecular X ← N (X = C, Si, Ge) Coordination in Atranes: Quantum-Chemical Study J. Org. Chem. 2003, 39, 372-379
-
(2003)
J. Org. Chem.
, vol.39
, pp. 372-379
-
-
Milov, A.A.1
Minyaev, R.M.2
Minkin, V.I.3
-
57
-
-
84879652814
-
DFT(B3LYP) Calculations of Silatranes and their Radical Cations. First Ionization Potentials
-
Belyaeva, V. V.; Frolov, Yu. L.; Voronkov, M. G. DFT(B3LYP) Calculations of Silatranes and their Radical Cations. First Ionization Potentials Zh. Strukt. Khim. 2005, 46, 1114-1119
-
(2005)
Zh. Strukt. Khim.
, vol.46
, pp. 1114-1119
-
-
Belyaeva, V.V.1
Frolov, Yu.L.2
Voronkov, M.G.3
-
59
-
-
66649133893
-
The Molecular and Electronic Structure Features of Silatranes, Germatranes, and their Carbon Analogs
-
Zabalov, M. V.; Karlov, S. S.; Zaytseva, G. S.; Lemenovskiy, D. A. The Molecular and Electronic Structure Features of Silatranes, Germatranes, and their Carbon Analogs Izv. Akad. Nauk, Ser. Khim. 2006, 448-460
-
(2006)
Izv. Akad. Nauk, Ser. Khim.
, pp. 448-460
-
-
Zabalov, M.V.1
Karlov, S.S.2
Zaytseva, G.S.3
Lemenovskiy, D.A.4
-
61
-
-
20344388084
-
Quantum Chemical Study of Group 14 Elements Pentacoordinated Derivatives - Metallatranes
-
Karlov, S. S.; Tyurin, D. A.; Zabalov, M. V.; Churakov, A. V.; Zaitseva, G. S. Quantum Chemical Study of Group 14 Elements Pentacoordinated Derivatives-Metallatranes J. Mol. Struct.: THEOCHEM 2005, 724, 31-37
-
(2005)
J. Mol. Struct.: THEOCHEM
, vol.724
, pp. 31-37
-
-
Karlov, S.S.1
Tyurin, D.A.2
Zabalov, M.V.3
Churakov, A.V.4
Zaitseva, G.S.5
-
62
-
-
0343847991
-
Ab initio Nuclear Shielding Calculations for some X-Substituted Silatranes Using Gauge-Including Atomic Orbitals
-
Kim, D. H.; Lee, M. J. Ab initio Nuclear Shielding Calculations for some X-Substituted Silatranes Using Gauge-Including Atomic Orbitals Bull. Korean Chem. Soc. 1997, 18, 981-985
-
(1997)
Bull. Korean Chem. Soc.
, vol.18
, pp. 981-985
-
-
Kim, D.H.1
Lee, M.J.2
-
63
-
-
0343411941
-
29Si NMR Shilding Tensors for Selected X-Substituted Silatranes Using GIAO/CSGT-SCF
-
29Si NMR Shilding Tensors for Selected X-Substituted Silatranes Using GIAO/CSGT-SCF Bull. Korean Chem. Soc. 1998, 19, 847-851
-
(1998)
Bull. Korean Chem. Soc.
, vol.19
, pp. 847-851
-
-
Kim, D.H.1
Lee, M.J.2
Oh, S.-W.3
-
65
-
-
0000970564
-
Molecular Structure of 1-isothiocyanatosilatrane: Ab initio and DFT Calculations
-
Chung, G.; Kwon, O.; Kwon, Y. Molecular Structure of 1- isothiocyanatosilatrane: Ab initio and DFT Calculations Inorg. Chem. 1999, 38, 197-200
-
(1999)
Inorg. Chem.
, vol.38
, pp. 197-200
-
-
Chung, G.1
Kwon, O.2
Kwon, Y.3
-
67
-
-
84879656344
-
Dipole Moments of Si-Substituted Silatranes
-
Chetverikova, V. A.; Kogan, V. A.; Zelchan, G. I.; Voronkov, M. G.; Osipov, O. A. Dipole Moments of Si-Substituted Silatranes Khim. Geterotsikl. Soedin. 1969, 446-449
-
(1969)
Khim. Geterotsikl. Soedin.
, pp. 446-449
-
-
Chetverikova, V.A.1
Kogan, V.A.2
Zelchan, G.I.3
Voronkov, M.G.4
Osipov, O.A.5
-
69
-
-
3242880889
-
Atranes. XXII. Intermolecular Hydrogen Bonding of Silatranes with Chloroform Studied by Dielectric Losses
-
Chetverikova, V. A.; Grishenko, A. S; Kogan, V. A.; Kolodyazhniy, Yu. V.; Osipov, O. A.; Zelchan, G. I.; Voronkov, M. G. Atranes. XXII. Intermolecular Hydrogen Bonding of Silatranes with Chloroform Studied by Dielectric Losses Zh. Obshch. Khimii 1970, 40, 1285-1288
-
(1970)
Zh. Obshch. Khimii
, vol.40
, pp. 1285-1288
-
-
Chetverikova, V.A.1
Grishenko, A.S.2
Kogan, V.A.3
Kolodyazhniy, Yu.V.4
Osipov, O.A.5
Zelchan, G.I.6
Voronkov, M.G.7
-
70
-
-
84879663780
-
-
Chem. Abstr. 1971, 74, 53898.
-
(1971)
Chem. Abstr.
, vol.74
, pp. 53898
-
-
-
71
-
-
0042050414
-
A Spectroscopic Study of Hydrogen Bond Formation by Silatranes and their Analogues
-
Voronkov, M. G.; Brodskaya, E. I.; Deriglazov, N. M.; Baryshok, V. P.; Belyaeva, V. V. A Spectroscopic Study of Hydrogen Bond Formation by Silatranes and their Analogues J. Organomet. Chem. 1982, 225, 193-201
-
(1982)
J. Organomet. Chem.
, vol.225
, pp. 193-201
-
-
Voronkov, M.G.1
Brodskaya, E.I.2
Deriglazov, N.M.3
Baryshok, V.P.4
Belyaeva, V.V.5
-
74
-
-
0040182916
-
The Nature of the Intramolecular Transannular Si.N Interaction in Crystalline 1-Methylsilatrane, as Found from X-ray Diffraction Data
-
Lyssenko, K. A.; Korlyukov, A. A.; Antipin, M. Yu.; Kniazev, S. P.; Kirin, V. N.; Alexeev, N. V.; Chernyshev, E. A. The Nature of the Intramolecular Transannular Si...N Interaction in Crystalline 1-Methylsilatrane, as Found from X-ray Diffraction Data Mendeleev Commun. 2000, 88-90
-
(2000)
Mendeleev Commun.
, pp. 88-90
-
-
Lyssenko, K.A.1
Korlyukov, A.A.2
Antipin, M.Yu.3
Kniazev, S.P.4
Kirin, V.N.5
Alexeev, N.V.6
Chernyshev, E.A.7
-
76
-
-
84879638907
-
1 jia ji za dan gui san huan de jing ti jie gou he za dan gui san huan lei hua he wu zhong gui dan jian jian de ben zhi de liang zi hua xue yan jiu
-
SiC values presented by them differ by less than 0.015 Å The structural parameters in Table 2 are from ref 33 - 263
-
SiC values presented by them differ by less than 0.015 Å. The structural parameters in Table 2 are from ref 33
-
(1991)
Chin. J. Struct. Chem.
, vol.10
, pp. 258
-
-
Lai, W.-J.1
Hong, M.-S.2
Huang, M.-S.3
Hu, S.-Z.4
-
77
-
-
48549112541
-
The Molecular Structure of 1-Fluorosilatrane
-
Párkányi, L.; Hencsei, P.; Bihatsi, L.; Muller, T. The Molecular Structure of 1-Fluorosilatrane J. Organomet. Chem. 1984, 269, 1-9
-
(1984)
J. Organomet. Chem.
, vol.269
, pp. 1-9
-
-
Párkányi, L.1
Hencsei, P.2
Bihatsi, L.3
Muller, T.4
-
78
-
-
0002591998
-
Through-Bond Interaction in Compounds Containing an Si-O-C-C-N Group
-
Voronkov, M. G.; Brodskaya, E. I.; Belyaeva, V. V.; Chuvashov, D. D.; Toryashinova, D. D.; Ermikov, A. F.; Baryshok, V. P. Through-Bond Interaction in Compounds Containing an Si-O-C-C-N Group J. Organomet. Chem. 1986, 311, 9-16
-
(1986)
J. Organomet. Chem.
, vol.311
, pp. 9-16
-
-
Voronkov, M.G.1
Brodskaya, E.I.2
Belyaeva, V.V.3
Chuvashov, D.D.4
Toryashinova, D.D.5
Ermikov, A.F.6
Baryshok, V.P.7
-
79
-
-
0346091977
-
Photoelectron-Spectra and Orbital Structures of Silatranes - Organic Derivatives of Pentacoordinate Silicon
-
Sidorkin, V. F.; Balakhchi, G. K. Photoelectron-Spectra and Orbital Structures of Silatranes-Organic Derivatives of Pentacoordinate Silicon Struct. Chem. 1994, 5, 189-195
-
(1994)
Struct. Chem.
, vol.5
, pp. 189-195
-
-
Sidorkin, V.F.1
Balakhchi, G.K.2
-
80
-
-
33747814723
-
Complexing between Silatranes and Tetracyanoethylene
-
Pestunovich, V. A.; Petukhov, L. P.; VakulÌskaya, T. I.; Baryshok, V. P.; Turchaninov, V. K.; Frolov, Yu. L.; Voronkov, M. G. Complexing between Silatranes and Tetracyanoethylene Izv. Akad. Nauk SSSR, Ser. Khim. 1978, 1470-1471
-
(1978)
Izv. Akad. Nauk SSSR, Ser. Khim.
, pp. 1470-1471
-
-
Pestunovich, V.A.1
Petukhov, L.P.2
Vakulìskaya, T.I.3
Baryshok, V.P.4
Turchaninov, V.K.5
Frolov, Yu.L.6
Voronkov, M.G.7
-
81
-
-
84879667281
-
-
Chem. Abstr. 1978, 89, 89839.
-
(1978)
Chem. Abstr.
, vol.89
, pp. 89839
-
-
-
82
-
-
0035125195
-
3: Crystallographic, Spectroscopic, and DFT Studies
-
3: Crystallographic, Spectroscopic, and DFT Studies Organometallics 2001, 20, 47-54
-
(2001)
Organometallics
, vol.20
, pp. 47-54
-
-
Brunel, L.1
Carré, F.2
Dutremez, S.G.3
Guérin, C.4
-
83
-
-
33747814723
-
Effect of Solvents on Chemical Shifts in Nitrogen-15 and Silicon-29 in NMR Spectra of 1-Methylsilatrane
-
Pestunovich, V. A.; Tandura, S. N.; Shterenberg, B. Z.; Baryshok, V. P.; Voronkov, M. G. Effect of Solvents on Chemical Shifts in Nitrogen-15 and Silicon-29 in NMR Spectra of 1-Methylsilatrane Izv. Akad. Nauk SSSR, Ser. Khim. 1978, 2653-2653
-
(1978)
Izv. Akad. Nauk SSSR, Ser. Khim.
, pp. 2653-2653
-
-
Pestunovich, V.A.1
Tandura, S.N.2
Shterenberg, B.Z.3
Baryshok, V.P.4
Voronkov, M.G.5
-
84
-
-
84879641486
-
-
Chem. Abstr. 1979, 90, 86545r.
-
(1979)
Chem. Abstr.
, vol.90
-
-
-
85
-
-
84986771087
-
Linear Solvation Energy Relationships VIII - Solvent Effects on NMR Spectral Shifts and Coupling Constants
-
Taft, R. W.; Kamlet, M. J. Linear Solvation Energy Relationships VIII-Solvent Effects on NMR Spectral Shifts and Coupling Constants Org. Magn. Reson. 1980, 14, 485-493
-
(1980)
Org. Magn. Reson.
, vol.14
, pp. 485-493
-
-
Taft, R.W.1
Kamlet, M.J.2
-
86
-
-
33747450336
-
Effect of the Medium on Nitrogen-15 and Silicon-29 NMR Chemical Shifts of 1-Substituted Silatranes
-
Pestunovich, V. A.; Tandura, S. N.; Shterenberg, B. Z.; Baryshok, V. P.; Voronkov, M. G. Effect of the Medium on Nitrogen-15 and Silicon-29 NMR Chemical Shifts of 1-Substituted Silatranes Dokl. Akad. Nauk SSSR 1980, 253, 400-403
-
(1980)
Dokl. Akad. Nauk SSSR
, vol.253
, pp. 400-403
-
-
Pestunovich, V.A.1
Tandura, S.N.2
Shterenberg, B.Z.3
Baryshok, V.P.4
Voronkov, M.G.5
-
87
-
-
84879642283
-
-
Chem. Abstr. 1981, 94, 46558g.
-
(1981)
Chem. Abstr.
, vol.94
-
-
-
90
-
-
0000390180
-
The Physical Chemistry of Silatranes
-
Sidorkin, V. F.; Pestunovich, V. A.; Voronkov, M. G. The Physical Chemistry of Silatranes Usp. Khim. 1980, 49, 789-813
-
(1980)
Usp. Khim.
, vol.49
, pp. 789-813
-
-
Sidorkin, V.F.1
Pestunovich, V.A.2
Voronkov, M.G.3
-
93
-
-
10744228697
-
Ab Initio and DFT Study of the Structure of Pentacoordinated Silicon Compounds: Si-Substituted (O-Si)dimethyl(N-acetylacetamidomethyl)silanes
-
Belogolova, E. F.; Sidorkin, V. F. Ab Initio and DFT Study of the Structure of Pentacoordinated Silicon Compounds: Si-Substituted (O-Si)dimethyl(N-acetylacetamidomethyl)silanes J. Mol. Struct.: THEOCHEM 2004, 668, 139-145
-
(2004)
J. Mol. Struct.: THEOCHEM
, vol.668
, pp. 139-145
-
-
Belogolova, E.F.1
Sidorkin, V.F.2
-
94
-
-
70349329832
-
Cage Silaphosphanes with a P→Si Dative Bond
-
Sidorkin, V. F.; Doronina, E. P. Cage Silaphosphanes with a P→Si Dative Bond Organometallics 2009, 28, 5305-5315
-
(2009)
Organometallics
, vol.28
, pp. 5305-5315
-
-
Sidorkin, V.F.1
Doronina, E.P.2
-
96
-
-
77954953376
-
The Use of the Structural Correlation Method for the Estimation of the Quality of Ab Initio and DFT Predictions of Geometry Parameters of Related Compounds in the Gas Phase and in Solutions. An Example of (O-Si)chelates with ClSiC3O Coordination Center
-
Belogolova, E. F.; Doronina, E. P.; Belogolov, M. A.; Sidorkin, V. F. The Use of the Structural Correlation Method for the Estimation of the Quality of Ab Initio and DFT Predictions of Geometry Parameters of Related Compounds in the Gas Phase and in Solutions. An Example of (O-Si)chelates with ClSiC3O Coordination Center J. Mol. Struct.: THEOCHEM 2010, 950, 72-78
-
(2010)
J. Mol. Struct.: THEOCHEM
, vol.950
, pp. 72-78
-
-
Belogolova, E.F.1
Doronina, E.P.2
Belogolov, M.A.3
Sidorkin, V.F.4
-
97
-
-
0000024039
-
Hypervalent Silicon Compounds
-
Rappoport, Z. Apeloig, Y. Wiley: Chichester, U.K. Vol. - 1445
-
Kost, D.; Kalikhman, I. Hypervalent Silicon Compounds. In The Chemistry of Organic Silicon Compounds; Rappoport, Z.; Apeloig, Y., Eds.; Wiley: Chichester, U.K., 1998; Vol. 2, pp 1339-1445.
-
(1998)
The Chemistry of Organic Silicon Compounds
, vol.2
, pp. 1339
-
-
Kost, D.1
Kalikhman, I.2
-
98
-
-
33644513173
-
Geometry of Intramolecular Silicon Complexes: An Ab Initio Estimation of the Sensitivity to the Effect of Medium: (Aroyloxymethyl)trifluorosilanes
-
Belogolova, E. F.; Sidorkin, V. F. Geometry of Intramolecular Silicon Complexes: an Ab Initio Estimation of the Sensitivity to the Effect of Medium: (Aroyloxymethyl)trifluorosilanes Izv. Akad. Nauk, Ser. Khim. 2003, 1392-1396
-
(2003)
Izv. Akad. Nauk, Ser. Khim.
, pp. 1392-1396
-
-
Belogolova, E.F.1
Sidorkin, V.F.2
-
100
-
-
85005543135
-
Calculations of NMR Chemical Shift - The Third Dimension of Quantum Chemistry
-
Cremer, D.; Olsson, L.; Reichel, F.; Kraka, E. Calculations of NMR Chemical Shift-the Third Dimension of Quantum Chemistry Isr. J. Chem. 1993, 33, 369-385
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 369-385
-
-
Cremer, D.1
Olsson, L.2
Reichel, F.3
Kraka, E.4
|