Study of spontaneous E
/Z
 isomerization of bis[(Z
)-cyanomethylidene]-diazapentacyclodienedicarboxylates by 1
H, 13
C, and 15
N NMR spectroscopy, X-ray, and quantum chemical calculation data

Andrei V. Afonin; Alexander V. Vashchenko; Alexander I. Albanov; Valentina V. Nosyreva; Anastasiya G. Mal'kina; Boris A. Trofimov

doi:10.1002/mrc.4551

Study of spontaneous E /Z isomerization of bis[(Z )-cyanomethylidene]-diazapentacyclodienedicarboxylates by 1 H, 13 C, and 15 N NMR spectroscopy, X-ray, and quantum chemical calculation data

Magnetic Resonance in Chemistry ◽

10.1002/mrc.4551 ◽

2016 ◽

Vol 55 (6) ◽

pp. 563-569 ◽

Cited By ~ 5

Author(s):

Andrei V. Afonin ◽

Alexander V. Vashchenko ◽

Alexander I. Albanov ◽

Valentina V. Nosyreva ◽

Anastasiya G. Mal'kina ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Chemical Calculation ◽

X Ray ◽

Calculation Data

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(Amidomethyl)dimethylsilanol hydrohalides: Synthesis, NMR and IR studies. Characteristic features of the electronic structure from high-resolution X-ray study and quantum chemical calculation

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2006.05.047 ◽

2006 ◽

Vol 691 (19) ◽

pp. 3962-3975 ◽

Cited By ~ 21

Author(s):

Alexander A. Korlyukov ◽

Sergey A. Pogozhikh ◽

Yuri E. Ovchinnikov ◽

Konstantin A. Lyssenko ◽

Mikhail Yu. Antipin ◽

...

Keyword(s):

Electronic Structure ◽

High Resolution ◽

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Chemical Calculation ◽

X Ray ◽

Ir Studies ◽

Characteristic Features

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Theoretical investigations of 1,4-butanediol and 2-butene-1,4-diol cyclodehydration using postprocessing visualization of quantum chemical calculation data

International Journal of Quantum Chemistry ◽

10.1002/qua.10218 ◽

2002 ◽

Vol 88 (5) ◽

pp. 670-675 ◽

Cited By ~ 2

Author(s):

M. Fleisher ◽

V. Stonkus ◽

L. Leite ◽

E. Lukevics

Keyword(s):

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Chemical Calculation ◽

Calculation Data ◽

Theoretical Investigations

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Comparing quantum-chemical calculation methods for structural investigation of zeolite crystal structures by solid-state NMR spectroscopy

Magnetic Resonance in Chemistry ◽

10.1002/mrc.2642 ◽

2010 ◽

Vol 48 (S1) ◽

pp. S113-S121 ◽

Cited By ~ 46

Author(s):

Darren H. Brouwer ◽

Igor L. Moudrakovski ◽

Richard J. Darton ◽

Russell E. Morris

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

Crystal Structures ◽

Quantum Chemical Calculation ◽

Solid State Nmr ◽

Quantum Chemical ◽

Structural Investigation ◽

Chemical Calculation ◽

Calculation Methods ◽

Zeolite Crystal

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Location, Acid Strength, and Mobility of the Acidic Protons in Keggin 12-H3PW12O40: A Combined Solid-State NMR Spectroscopy and DFT Quantum Chemical Calculation Study

Journal of the American Chemical Society ◽

10.1021/ja055925z ◽

2005 ◽

Vol 127 (51) ◽

pp. 18274-18280 ◽

Cited By ~ 88

Author(s):

Jun Yang ◽

Michael J. Janik ◽

Ding Ma ◽

Anmin Zheng ◽

Mingjin Zhang ◽

...

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

Quantum Chemical Calculation ◽

Solid State Nmr ◽

Quantum Chemical ◽

Acid Strength ◽

Chemical Calculation ◽

Solid State Nmr Spectroscopy

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A study of the electronic structure of phenylsilanes by X-ray emission spectroscopy and quantum chemical calculation methods

Journal of Structural Chemistry ◽

10.1134/s0022476612050071 ◽

2012 ◽

Vol 53 (5) ◽

pp. 876-884 ◽

Cited By ~ 8

Author(s):

T. N. Danilenko ◽

M. M. Tatevosyan ◽

V. G. Vlasenko

Keyword(s):

Electronic Structure ◽

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Emission Spectroscopy ◽

Chemical Calculation ◽

Calculation Methods ◽

X Ray

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Location, Acid Strength, and Mobility of the Acidic Protons in Keggin 12-H3PW12O40: A Combined Solid-State NMR Spectroscopy and DFT Quantum Chemical Calculation Study.

ChemInform ◽

10.1002/chin.200615011 ◽

2006 ◽

Vol 37 (15) ◽

Author(s):

Jun Yang ◽

Michael J. Janik ◽

Ding Ma ◽

Anmin Zheng ◽

Mingjin Zhang ◽

...

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

Quantum Chemical Calculation ◽

Solid State Nmr ◽

Quantum Chemical ◽

Acid Strength ◽

Chemical Calculation ◽

Solid State Nmr Spectroscopy

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Structure and molecular polarizability of mesogenic Shiff bases from quantum chemical calculation data

Journal of Structural Chemistry ◽

10.1007/s10947-007-0066-0 ◽

2007 ◽

Vol 48 (3) ◽

pp. 440-446 ◽

Cited By ~ 1

Author(s):

G. A. Zhurko ◽

V. V. Aleksandriiskii ◽

M. K. Islyaikin ◽

V. A. Burmistrov

Keyword(s):

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Molecular Polarizability ◽

Chemical Calculation ◽

Calculation Data ◽

Shiff Bases

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Adducts AnC60Hn: Electro‐optical Properties and Quantum Chemical Calculation Data

Fullerenes Nanotubes and Carbon Nanostructures ◽

10.1080/15363830600665474 ◽

2006 ◽

Vol 14 (2-3) ◽

pp. 343-348 ◽

Cited By ~ 8

Author(s):

N. P. Yevlampieva ◽

E. F. Sheka

Keyword(s):

Optical Properties ◽

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Chemical Calculation ◽

Calculation Data

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STRUCTURAL DETERMINATION OF CYCLOALIPHATIC EPOXY MONOMERS BY TWO-DIMENSIONAL NMR SPECTROSCOPY AND QUANTUM CHEMICAL CALCULATION

Analytical Sciences ◽

10.2116/analsci.7.supple_425 ◽

1991 ◽

Vol 7 (Supple) ◽

pp. 425-428 ◽

Cited By ~ 1

Author(s):

ATSUSHI UDAGAWA ◽

YASUHIKO YAMAMOTO ◽

YOSHIO INOUE ◽

RIICHIRO CHUJO

Keyword(s):

Nmr Spectroscopy ◽

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Chemical Calculation ◽

Structural Determination ◽

Two Dimensional ◽

Cycloaliphatic Epoxy

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Peripheral modification and basicity of (phthalocyaninato)-copper(II) according to the electronic spectroscopy and quantum chemical calculation data

Russian Journal of Organic Chemistry ◽

10.1134/s107042801312018x ◽

2013 ◽

Vol 49 (12) ◽

pp. 1819-1827

Author(s):

T. N. Lomova ◽

T. N. Sokolova ◽

S. V. Zaitseva ◽

S. A. Zdanovich ◽

V. E. Maizlish

Keyword(s):

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Electronic Spectroscopy ◽

Chemical Calculation ◽

Calculation Data

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