Works matching IS 01928651 AND DT 2019 AND VI 40 AND IP 3

Results: 9

Martini coarse‐grained model for polyethylenimine.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. 607, doi. 10.1002/jcc.25747
By:
- Mahajan, Subhamoy;
- Tang, Tian
Publication type:
Article
Density functional theory study with and without COSMO of H<sub>2</sub>SO<sub>4</sub> reactions in an aqueous environment for metal extraction.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. 591, doi. 10.1002/jcc.25744
By:
- Ungerer, Maria Johanna;
- van Sittert, Cornelia Gertina Catharina Elizabeth;
- van der Westhuizen, Derik Johannes;
- Krieg, Henning Manfred
Publication type:
Article
The planarity of heteroatom analogues of benzene: Energy component analysis and the planarization of hexasilabenzene.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. 581, doi. 10.1002/jcc.25743
By:
- Nakamura, Taiji;
- Kudo, Takako
Publication type:
Article
Benson group additivity values of phosphines and phosphine oxides: Fast and accurate computational thermochemistry of organophosphorus species.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. 572, doi. 10.1002/jcc.25740
By:
- Vuori, Hannu T.;
- Rautiainen, J. Mikko;
- Kolehmainen, Erkki T.;
- Tuononen, Heikki M.
Publication type:
Article
Hydrogenation of 3d‐metal oxide clusters: Effects on the structure and magnetic properties.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. 562, doi. 10.1002/jcc.25739
By:
- Gutsev, G. L.;
- Bozhenko, K. V.;
- Gutsev, L. G.;
- Utenyshev, A. N.;
- Aldoshin, S. M.
Publication type:
Article
Halogen bonding in mono‐ and dihydrated halobenzene.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. 554, doi. 10.1002/jcc.25733
By:
- Hogan, Simon W. L.;
- van Mourik, Tanja
Publication type:
Article
ExcelAutomat 1.3: Fragment analysis based on the distortion/interaction‐activation strain model.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. 619, doi. 10.1002/jcc.25546
By:
- Laloo, Jalal Z. A.;
- Savoo, Nandini;
- Laloo, Nassirah;
- Rhyman, Lydia;
- Ramasami, Ponnadurai
Publication type:
Article
Issue Information.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. 549, doi. 10.1002/jcc.25398
Publication type:
Article
Cover Image, Volume 40, Issue 3.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 3, p. C1, doi. 10.1002/jcc.25395
Publication type:
Article