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