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Journal of Chemical Theory and Computation

ISSNs: 1549-9618

Additional searchable ISSN (electronic): 1549-9626

American Chemical Society

Scopus rating (2023): CiteScore 9.9 SJR 1.457 SNIP 1.433

Journal

Titles
  • Journal of Chemical Theory and Computation
  • Journal of chemical theory and computation
Additional searchable titlesJournal of chemical theory and computation
ISSNs1549-9618
Additional searchable ISSN (electronic)1549-9626
PublisherAmerican Chemical Society
ZDB-ID2180214-2
ZDB-ID2166976-4

Keywords

ASJC Scopus subject areas

Library keywords

Related content

Accelerating Core-Level GW Calculations by Combining the Contour Deformation Approach with the Analytic Continuation of W

Panadés-Barrueta, R. L. & Golze, D., 22 Aug 2023, In: Journal of chemical theory and computation. 19, 16, p. 5450-5464 15 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

Predicting Magnetic Coupling and Spin-Polarization Energy in Triangulene Analogues

Yu, H., Sun, J. & Heine, T., 27 Jun 2023, In: Journal of chemical theory and computation. 19, 12, p. 3486-3497 12 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

DFTB Parameters for the Periodic Table: Part III, Spin-Orbit Coupling

Jha, G. & Heine, T., 12 Jul 2022, In: Journal of chemical theory and computation. 18, 7, p. 4472-4481 10 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

Approximate Analytical Solutions for the Euler Equation for Second-Row Homonuclear Dimers

Finzel, K., 9 Nov 2021, In: Journal of chemical theory and computation. 17, 11, p. 6832-6840 9 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

Investigating a Combined Stochastic Nucleation and Molecular Dynamics-Based Equilibration Approach for Constructing Large-Scale Polycrystalline Films

Schellhammer, S., Ortmann, F. & Cuniberti, G., 12 Jan 2021, In: Journal of Chemical Theory and Computation. 17, 2, p. 1266 - 1275 10 p.

Research output: Contribution to journal › Research article › Contributed › peer-review

View all research output (10)