X-ray crystallographic, spectroscopic and quantum chemical studies on ethyl 2-cyano-3-N,N-dimethyl amino acrylate

V.P. Gupta; Archna Sharma;  Dinesh;  Rajnikant

doi:10.1016/j.saa.2006.11.021

X-ray crystallographic, spectroscopic and quantum chemical studies on ethyl 2-cyano-3-N,N-dimethyl amino acrylate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.11.021 ◽

2007 ◽

Vol 68 (2) ◽

pp. 237-243

Author(s):

V.P. Gupta ◽

Archna Sharma ◽

Dinesh ◽

Rajnikant

Keyword(s):

Quantum Chemical ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies

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Solution- and Solid-State Coordination Behavior of ω-Trichlorostannyl Alcohols, HO(CH2)nSnCl3(n= 3−5): X-ray Diffraction, Multinuclear NMR, and AM1 Quantum Chemical Studies

Organometallics ◽

10.1021/om970449+ ◽

1998 ◽

Vol 17 (1) ◽

pp. 90-97 ◽

Cited By ~ 22

Author(s):

Monique Biesemans ◽

Rudolph Willem ◽

Said Damoun ◽

Paul Geerlings ◽

Edward R. T. Tiekink ◽

...

Keyword(s):

Solid State ◽

Quantum Chemical ◽

X Ray Diffraction ◽

X Ray ◽

Multinuclear Nmr ◽

Coordination Behavior ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

State Coordination

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Molecular determinants for drug–receptor interactions. Part 13. X-Ray molecular structure of naltrexone malonate and quantum chemical studies of the conformations of the pure narcotic antagonists naloxone and naltrexone

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29900001757 ◽

1990 ◽

pp. 1757-1762 ◽

Cited By ~ 6

Author(s):

Maria E. Amato ◽

Giuliano Bandoli ◽

Antonio Grassi ◽

Marino Nicolini ◽

Giuseppe C. Pappalardo

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

X Ray ◽

Narcotic Antagonists ◽

Molecular Determinants ◽

Receptor Interactions ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Drug Receptor

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ChemInform Abstract: Synthetic, Spectroscopic, X-Ray Structural, and Quantum-Chemical Studies of Cyanothiomolybdates with Mo2S, Mo2S2, Mo3S4, and Mo4S4 Cores: A Remarkable Class of Species Existing with Different Electron Populations and Having the Same C

Chemischer Informationsdienst ◽

10.1002/chin.198551262 ◽

1985 ◽

Vol 16 (51) ◽

Author(s):

A. MUELLER ◽

R. JOSTES ◽

W. ELTZNER ◽

C.-S. NIE ◽

E. DIEMANN ◽

...

Keyword(s):

Quantum Chemical ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies

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Molecular structure of trimethylphosphine–gallane, Me3P·GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studies

Dalton Transactions ◽

10.1039/b306736j ◽

2003 ◽

pp. 3526-3533 ◽

Cited By ~ 12

Author(s):

Christina Y. Tang ◽

Robert A. Coxall ◽

Anthony J. Downs ◽

Tim M. Greene ◽

Lorna Kettle ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Single Crystal ◽

Gas Phase ◽

Quantum Chemical ◽

X Ray Diffraction ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Gas Phase Electron Diffraction

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High-Resolution X-ray Diffraction and ab Initio Quantum Chemical Studies of Glycoluril, a Biotin Analog

Journal of the American Chemical Society ◽

10.1021/ja00094a002 ◽

1994 ◽

Vol 116 (15) ◽

pp. 6494-6507 ◽

Cited By ~ 15

Author(s):

Naiyin Li ◽

Sergio Maluendes ◽

Robert H. Blessing ◽

Michel Dupuis ◽

Grant R. Moss ◽

...

Keyword(s):

High Resolution ◽

Ab Initio ◽

Quantum Chemical ◽

X Ray Diffraction ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum chemical studies and effect of gamma irradiation on the spectral, thermal, X‐ray diffraction and DNA interaction with Pd (II), Cu(I), and Cd (II) of hydrazone derivatives

Applied Organometallic Chemistry ◽

10.1002/aoc.6153 ◽

2021 ◽

Author(s):

Samar A. Aly ◽

Hussein H. Elganzory ◽

Mahmoud H. Mahross ◽

Ehab M. Abdalla

Keyword(s):

Gamma Irradiation ◽

Quantum Chemical ◽

Dna Interaction ◽

X Ray Diffraction ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies

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2-Bornyl cations stabilized by metal clusters: synthetic and X-ray structural and quantum-chemical studies

Russian Chemical Bulletin ◽

10.1007/bf00699818 ◽

1994 ◽

Vol 43 (4) ◽

pp. 538-542

Author(s):

M. Gruselle

Keyword(s):

Quantum Chemical ◽

Metal Clusters ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies

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X-Ray, FTIR and quantum chemical studies of short and asymmetric hydrogen bonds in bis(2,6-dimethylpyridine-N-oxide) sulphate [2,6-(CH3)2C5H3N+OH]2[SO2−4]

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00039-2 ◽

1997 ◽

Vol 416 (1-3) ◽

pp. 81-90 ◽

Cited By ~ 7

Author(s):

Mirosław Szafran ◽

Ewa Tykarska ◽

Zofia Dega-Szafran

Keyword(s):

Hydrogen Bonds ◽

Quantum Chemical ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies

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Synthesis, spectroscopic and X-ray structural characterization, quantum chemical studies and investigation of gama-irradiated effects of the novel hydrazone compound: [(E)-3-(2-nitrophenyl)-(E)-1-(2-phenylhydrazono)]-1-phenylallylidene

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.12.092 ◽

2017 ◽

Vol 1134 ◽

pp. 244-252 ◽

Cited By ~ 4

Author(s):

Gül Yakalı ◽

Abban Çakıcı ◽

Canel Eke ◽

Günseli Turgut Cin ◽

Muhittin Aygün

Keyword(s):

Structural Characterization ◽

Quantum Chemical ◽

The Novel ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Hydrazone Compound

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In search of metal hydrides: an X-ray absorption and emission study of [NiFe] hydrogenase model complexes

Physical Chemistry Chemical Physics ◽

10.1039/c5cp07293j ◽

2016 ◽

Vol 18 (16) ◽

pp. 10688-10699 ◽

Cited By ~ 27

Author(s):

Stefan Hugenbruch ◽

Hannah S. Shafaat ◽

Tobias Krämer ◽

Mario Ulises Delgado-Jaime ◽

Katharina Weber ◽

...

Keyword(s):

Metal Hydride ◽

Quantum Chemical ◽

Metal Hydrides ◽

Model Complexes ◽

X Ray ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Emission Study ◽

X Ray Absorption ◽

Insight Into

Insight into the factors that favor metal–hydride interactions in NiFe-hydrogenase models is obtained through X-ray spectroscopic and quantum chemical studies.

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