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Subject 541.28

2925. Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study. Issue 24 (14th August 2017)

Authors:
Ndassa, Ibrahim Mbouombouo; Adjieufack, Abel Idrice; Mbadcam Ketcha, Joseph; Berski, Slawomir; Ríos‐Gutiérrez, Mar; Domingo, Luis R.
Journal:
International journal of quantum chemistry
Issue:
Volume 117:Issue 24(2017)
Page Start:
n/a
Record Type:
Journal Article
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2926. Understanding the synergistic effects, optical and electronic properties of ternary Fe/C/S‐doped TiO2 anatase within the DFT + U approach. Issue 5 (23rd September 2017)

Authors:
Opoku, Francis; Govender, Krishna Kuben; van Sittert, Cornelia Gertina Catharina Elizabeth; Govender, Penny Poomani
Journal:
International journal of quantum chemistry
Issue:
Volume 118:Issue 5(2018)
Page Start:
n/a
Record Type:
Journal Article
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2928. Unexpected A·T(WC)↔A·T(rWC)/A·T(rH) and A·T(H)↔A·T(rH)/A·T(rWC) conformational transitions between the classical A·T DNA base pairs: A QM/QTAIM comprehensive study. Issue 18 (11th August 2018)

Authors:
Brovarets', Ol'ha O.; Tsiupa, Kostiantyn S.; Hovorun, Dmytro M.
Journal:
International journal of quantum chemistry
Issue:
Volume 118:Issue 18(2018)
Page Start:
n/a
Record Type:
Journal Article
View Content:
Available online (eLD content is only available in our Reading Rooms) ↗