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Rustam Z Khaliullin

19PUBLICATIONS

42CO-AUTHORS

Biologically active moleculesComputational chemistryOrganic semiconductorsChemical and thermal processes in energy and combustionTheoretical quantum chemistry

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Publications (19)

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|Mar 21, 2026

Formaldehyde hydrazone as a methyl reagent for nickel-catalyzed cross-coupling methylation of aryl and heteroaryl electrophiles.

Daliah Farajat, Léa Philippe, Faraz Alaghemand

|Jan 15, 2026

The CP2K Program Package Made Simple.

Marcella Iannuzzi, Jan Wilhelm, Frederick Stein

|Sep 28, 2025

Structural Control of Band Gap and Polaron Delocalization in 2D Azatriangulene Covalent Organic Frameworks.

Chang Wan Kang, Ehsan Hamzehpoor, Pegah Ghamari

|Jul 10, 2025

Computational design of gallium imides for methane activation.

Sylvester Zhang, Ruofei Cheng, Peter H McBreen

|Apr 02, 2025

Direct Unconstrained Optimization of Excited States in Density Functional Theory.

Hanh D M Pham, Rustam Z Khaliullin

|Sep 11, 2024

Direct Unconstrained Optimization of Molecular Orbital Coefficients in Density Functional Theory.

Hanh D M Pham, Rustam Z Khaliullin

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Frequent Collaborators

5 joint publications

Chao-Jun Li

4 joint publications

Dmytro F Perepichka

3 joint publications

Hanh D M Pham

2 joint publications

Marcella Iannuzzi

2 joint publications

Yousung Jung

2 joint publications

Chen-Chen Li

2 joint publications

Durbis J Castillo-Pazos

2 joint publications

Zhenzhe Zhang

1 joint publications

Stephan N Steinmann

1 joint publications

Joaquín Barroso-Flores

Frequent Collaborators

5 joint publications

Chao-Jun Li

4 joint publications

Dmytro F Perepichka

3 joint publications

Hanh D M Pham

2 joint publications

Marcella Iannuzzi

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