ChemInform Abstract: Experimental and Theoretical Investigation of Substituent Effects in a Two-Pathway Reaction of Tetrahydro-1,5-benzodiazepine-2-thiones with 4-Substituted 2-Bromoacetophenones.

Regina Janciene; Ausra Vektariene; Zita Stumbreviciute; Benedikta Puodziunaite

doi:10.1002/chin.201138170

ChemInform Abstract: Experimental and Theoretical Investigation of Substituent Effects in a Two-Pathway Reaction of Tetrahydro-1,5-benzodiazepine-2-thiones with 4-Substituted 2-Bromoacetophenones.

ChemInform ◽

10.1002/chin.201138170 ◽

2011 ◽

Vol 42 (38) ◽

pp. no-no

Author(s):

Regina Janciene ◽

Ausra Vektariene ◽

Zita Stumbreviciute ◽

Benedikta Puodziunaite

Keyword(s):

Theoretical Investigation ◽

Substituent Effects

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Theoretical investigation of substituent effects on the relative stabilities and electronic structure of [BnXn]2− clusters

Journal of Molecular Modeling ◽

10.1007/s00894-021-04980-1 ◽

2021 ◽

Vol 27 (12) ◽

Author(s):

Duygu Tahaoğlu ◽

Fahri Alkan ◽

Murat Durandurdu

Keyword(s):

Electronic Structure ◽

Theoretical Investigation ◽

Substituent Effects ◽

Relative Stabilities

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Reverse Cope Elimination of Hydroxylamines and Alkenes or Alkynes: Theoretical Investigation of Tether Length and Substituent Effects

Journal of the American Chemical Society ◽

10.1021/ja211568k ◽

2012 ◽

Vol 134 (4) ◽

pp. 2434-2441 ◽

Cited By ~ 50

Author(s):

Elizabeth H. Krenske ◽

Edwin C. Davison ◽

Ian T. Forbes ◽

Jacqueline A. Warner ◽

Adrian L. Smith ◽

...

Keyword(s):

Theoretical Investigation ◽

Substituent Effects

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Claisen rearrangements of benzyl vinyl ethers: theoretical investigation of mechanism, substituent effects, and regioselectivity

Organic & Biomolecular Chemistry ◽

10.1039/c7ob01666b ◽

2017 ◽

Vol 15 (37) ◽

pp. 7887-7893 ◽

Cited By ~ 3

Author(s):

Elizabeth H. Krenske ◽

Jed M. Burns ◽

Ross P. McGeary

Keyword(s):

Theoretical Investigation ◽

Theoretical Calculations ◽

Substituent Effects ◽

Vinyl Ethers ◽

Claisen Rearrangements

Theoretical calculations are reported which examine the mechanisms of Claisen rearrangements of benzyl vinyl ethers and the ways in which substituents influence reactivity and regioselectivity.

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Theoretical investigation of the substituent effects in the conformational isomerism of bromoalkoxycyclohexanes

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.08.019 ◽

2012 ◽

Vol 999 ◽

pp. 89-92 ◽

Cited By ~ 4

Author(s):

Josué M. Silla ◽

Matheus P. Freitas

Keyword(s):

Theoretical Investigation ◽

Substituent Effects ◽

Conformational Isomerism

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Substituent effects on the photophysical properties of 2,9‐substituted phenanthroline copper(I) complexes: a theoretical investigation

ChemPhysChem ◽

10.1002/cphc.202000868 ◽

2020 ◽

Author(s):

Chantal Daniel ◽

Christophe Gourlaouen ◽

Keiko Takano ◽

Ai Hamano

Keyword(s):

Theoretical Investigation ◽

Photophysical Properties ◽

Substituent Effects

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Theoretical investigation of substituent effects on the silicon–metal bond for a series of transition metal-substituted base-stabilized silylene complexes

Polyhedron ◽

10.1016/s0277-5387(00)00633-1 ◽

2001 ◽

Vol 20 (3-4) ◽

pp. 209-213 ◽

Cited By ~ 5

Author(s):

H.P. Hratchian ◽

T. Prendergast ◽

M.C. Milletti

Keyword(s):

Transition Metal ◽

Theoretical Investigation ◽

Substituent Effects ◽

Metal Bond ◽

Silylene Complexes

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Substituent Effects in Alpha-Amino and Hydroxyphosphonates Addition to Substituted Arylisocyanates: Theoretical Investigation

Phosphorus Sulfur and Silicon and the Related Elements ◽

10.1080/10426509908053662 ◽

1999 ◽

Vol 147 (1) ◽

pp. 365-365

Author(s):

Roustem D. Saiakhov ◽

Albert R. Magafurov ◽

Vladimir I. Galkin ◽

Rafael A. Cherkasov

Keyword(s):

Theoretical Investigation ◽

Substituent Effects

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Substituent effects on the compounds CX1X2•− (X1, X2 = H, F, Cl, Br, I) from theoretical investigation

Structural Chemistry ◽

10.1007/s11224-012-0095-y ◽

2012 ◽

Vol 24 (2) ◽

pp. 455-461 ◽

Cited By ~ 3

Author(s):

Junxi Liang ◽

Yanbin Wang ◽

Zhiyuan Geng ◽

Guihua Li ◽

Yajun Wei

Keyword(s):

Theoretical Investigation ◽

Substituent Effects

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Experimental and theoretical investigation of substituent effects in a two-pathway reaction of tetrahydro-1,5-benzodiazepine-2-thiones with 4-substituted 2-bromoacetophenones

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/s00706-011-0496-4 ◽

2011 ◽

Vol 142 (6) ◽

pp. 609-618 ◽

Cited By ~ 6

Author(s):

Regina Janciene ◽

Ausra Vektariene ◽

Zita Stumbreviciute ◽

Benedikta Puodziunaite

Keyword(s):

Theoretical Investigation ◽

Substituent Effects

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A (U)MP2(full) and (U)CCSD(T) theoretical investigation into the substituent effects on the intermolecular T-shaped F–H…π interactions between HF and LBBL (L = −H, ∶CO, :NN, –Cl, –CN and –NC)

Journal of Molecular Modeling ◽

10.1007/s00894-011-1292-0 ◽

2011 ◽

Vol 18 (7) ◽

pp. 2959-2969

Author(s):

Zhao-ming Yang ◽

Lin Zhang ◽

Li-zhen Chen ◽

Fu-de Ren ◽

Shan Du ◽

...

Keyword(s):

Theoretical Investigation ◽

Substituent Effects ◽

Π Interactions

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