Theoretical investigation of an unusual substituent effect on the dienophilicity of >CP functionality present in 2-phosphaindolizines

Raj K. Bansal; Neelima Gupta; Govind Dixit; Surendra K. Kumawat

doi:10.1002/poc.1436

Theoretical investigation of an unusual substituent effect on the dienophilicity of >CP functionality present in 2-phosphaindolizines

Journal of Physical Organic Chemistry ◽

10.1002/poc.1436 ◽

2008 ◽

Vol 22 (2) ◽

pp. 125-129 ◽

Cited By ~ 9

Author(s):

Raj K. Bansal ◽

Neelima Gupta ◽

Govind Dixit ◽

Surendra K. Kumawat

Keyword(s):

Theoretical Investigation ◽

Substituent Effect

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A (U)MP2(full) and (U)CCSD(T) theoretical investigation on the substituent effect on the cation–π interactions between Na+ and LCCL (L=H, CH3, OH, F, Cl, CO, NN, CN−, NC− and OH−)

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2010.06.014 ◽

2010 ◽

Vol 956 (1-3) ◽

pp. 1-9 ◽

Cited By ~ 8

Author(s):

Ji-hua Yang ◽

Fu-de Ren

Keyword(s):

Theoretical Investigation ◽

Substituent Effect ◽

Π Interactions

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Correction to: Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effect

Journal of Molecular Modeling ◽

10.1007/s00894-017-3506-6 ◽

2017 ◽

Vol 23 (12) ◽

Author(s):

Jiacheng Yi ◽

Hua Fang

Keyword(s):

Excited State ◽

Proton Transfer ◽

Theoretical Investigation ◽

Substituent Effect ◽

Excited State Proton Transfer

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Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effect

Journal of Molecular Modeling ◽

10.1007/s00894-017-3487-5 ◽

2017 ◽

Vol 23 (11) ◽

Cited By ~ 3

Author(s):

Jiacheng Yi ◽

Hua Fang

Keyword(s):

Excited State ◽

Proton Transfer ◽

Theoretical Investigation ◽

Substituent Effect ◽

Excited State Proton Transfer

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Substituent effect on the acidity strength of para-C6H4XB(OH)2 boronic acid: A theoretical investigation

Журнал структурной химии ◽

10.26902/jsc_id49751 ◽

2019 ◽

Vol 60 (11) ◽

Keyword(s):

Theoretical Investigation ◽

Boronic Acid ◽

Substituent Effect

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Theoretical Investigation on the Substituent Effect of Halogen Atoms at the C8 Position of Adenine: Relative Stability, Vibrational Frequencies, and Raman Spectra of Tautomers

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b03604 ◽

2016 ◽

Vol 120 (23) ◽

pp. 4049-4058 ◽

Cited By ~ 8

Author(s):

Yan-Li Chen ◽

De-Yin Wu ◽

Zhong-Qun Tian

Keyword(s):

Raman Spectra ◽

Theoretical Investigation ◽

Relative Stability ◽

Substituent Effect ◽

Vibrational Frequencies ◽

Halogen Atoms

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Substituent Effect on the Acidity Strength of para-C6H4XB(OH)2 Boronic Acid: A Theoretical Investigation

Journal of Structural Chemistry ◽

10.1134/s0022476619110064 ◽

2019 ◽

Vol 60 (11) ◽

pp. 1743-1749 ◽

Cited By ~ 2

Author(s):

S. Fereidoni ◽

R. Ghiasi ◽

H. Pasdar ◽

B. Mohtat

Keyword(s):

Theoretical Investigation ◽

Boronic Acid ◽

Substituent Effect

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Theoretical Investigation on the Substituent Effect of Halogen Atom on the Ground-State Double Proton Transfer in the 2-Pyridone-Solvent (Solvent: H2 O, NH3 ) Complexes

ChemistrySelect ◽

10.1002/slct.201802647 ◽

2019 ◽

Vol 4 (4) ◽

pp. 1316-1322 ◽

Cited By ~ 1

Author(s):

Mei Ni ◽

Hua Fang

Keyword(s):

Proton Transfer ◽

Theoretical Investigation ◽

Ground State ◽

Substituent Effect ◽

Halogen Atom ◽

Double Proton Transfer ◽

Solvent Solvent

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Theoretical investigation of the substituent effect on the electronic and optical properties of photochromic dithienylethene derivatives

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/j.jphotochem.2007.01.030 ◽

2007 ◽

Vol 189 (2-3) ◽

pp. 167-176 ◽

Cited By ~ 66

Author(s):

A. Perrier ◽

F. Maurel ◽

J. Aubard

Keyword(s):

Optical Properties ◽

Theoretical Investigation ◽

Substituent Effect ◽

Electronic And Optical Properties

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THEORETICAL INVESTIGATION OF ISOMER SHIFTS IN Fe, FeAl, FeTi AND FeCo

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1988837 ◽

1988 ◽

Vol 49 (C8) ◽

pp. C8-101-C8-102

Author(s):

P. Blaha ◽

K. Schwarz

Keyword(s):

Theoretical Investigation

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Theoretical Investigation of Concrete Beams Reinforced with Steel and Fiber Reinforced Polymer Bars

10.33107/ubt-ic.2017.77 ◽

2017 ◽

Author(s):

Besian Sianani ◽

Metin Hakan Severcan ◽

Ilker Fatih Kara

Keyword(s):

Theoretical Investigation ◽

Concrete Beams ◽

Fiber Reinforced Polymer ◽

Fiber Reinforced ◽

Reinforced Polymer

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