Rustam Z Khaliullin

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 18

Top Topics

Electron Transfer

Room Temperature

Walled Carbon Nanotubes

Molecular Dynamics

Top Venues

Nature communications

Journal of chemical theory and computation

Organic letters

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Siyi Luo, Hanh D M Pham, Chen-Chen Li, Zihang Qiu, Ruofei Cheng, Rustam Z Khaliullin, Chao-Jun Li
Anti-Markovnikov Hydroalkylation of Styrene Derivatives via Hydrazones Catalyzed by Ru-PNP Complex. Organic letters 26 (15) (2024)
Zhenzhe Zhang, Hanh D M Pham, Dmitrii F Perepichka, Rustam Z Khaliullin
Prediction of highly stable 2D carbon allotropes based on azulenoid kekulene. Nature communications 15 (1) (2024)
Siyi Luo, Hanh D M Pham, Chen-Chen Li, Zihang Qiu, Ruofei Cheng, Rustam Z Khaliullin, Chao-Jun Li
Anti-Markovnikov Hydroalkylation of Styrene Derivatives via Hydrazones Catalyzed by Ru-PNP Complex. Organic letters (2024)
Zhenzhe Zhang, Hanh D M Pham, Dmitrii F Perepichka, Rustam Z Khaliullin
Prediction of highly stable 2D carbon allotropes based on azulenoid kekulene. Nature communications 15 (1) (2024)
Hanh D M Pham, Rustam Z Khaliullin
Direct Unconstrained Optimization of Molecular Orbital Coefficients in Density Functional Theory. Journal of chemical theory and computation (2024)
Zhenzhe Zhang, Hanh D M Pham, Dmitrii F Perepichka, Rustam Z Khaliullin
Prediction of highly stable 2D carbon allotropes based on azulenoid kekulene. Nature communications 15 (1) (2024)
Yonghwan Yun, Rustam Z Khaliullin, Yousung Jung
Correlated Local Fluctuations in the Hydrogen Bond Network of Liquid Water. Journal of the American Chemical Society 144 (29) (2022)
Dawei Cao, Mohamad Ataya, Zhangpei Chen, Hui-Ying Zeng, Yong Peng, Rustam Z Khaliullin, Chao-Jun Li
Light-driven transition-metal-free direct decarbonylation of unstrained diaryl ketones via a dual C-C bond cleavage. Nature communications 13 (1) (2022)
Zhenzhe Zhang, Dmitrii F Perepichka, Rustam Z Khaliullin
Adatoms in the Surface-Confined Ullmann Coupling of Phenyl Groups. The journal of physical chemistry letters 12 (45) (2021)
Ziling Luo, Rustam Z Khaliullin
Variable-Metric Localization of Occupied and Virtual Orbitals. Journal of chemical theory and computation 17 (9) (2021)
Ziling Luo, Rustam Z Khaliullin
Direct Unconstrained Variable-Metric Localization of One-Electron Orbitals. Journal of chemical theory and computation 16 (6) (2020)
Yuan Fang, Benjamin D Lindner, Iris Destoop, Takashi Tsuji, Zhenzhe Zhang, Rustam Z Khaliullin, Dmitrii F Perepichka, Kazukuni Tahara, Steven De Feyter, Yoshito Tobe
Stereospecific Epitaxial Growth of Bilayered Porous Molecular Networks. Journal of the American Chemical Society 142 (19) (2020)
Yonghwan Yun, Rustam Z Khaliullin, Yousung Jung
Low-Dimensional Confined Ice Has the Electronic Signature of Liquid Water. The journal of physical chemistry letters 10 (8) (2019)
William L Odette, Nicholas A Payne, Rustam Z Khaliullin, Janine Mauzeroll
Redox-Triggered Disassembly of Nanosized Liposomes Containing Ferrocene-Appended Amphiphiles. Langmuir : the ACS journal of surfaces and colloids 35 (16) (2019)
Zihang Qiu, Hanh D M Pham, Jianbin Li, Chen-Chen Li, Durbis J Castillo-Pazos, Rustam Z Khaliullin, Chao-Jun Li
Light-enabled metal-free pinacol coupling by hydrazine. Chemical science 10 (47) (2019)
Hayden Scheiber, Yifei Shi, Rustam Z Khaliullin
Communication: Compact orbitals enable low-cost linear-scaling ab initio molecular dynamics for weakly-interacting systems. The Journal of chemical physics 148 (23) (2018)
Yifei Shi, Hayden Scheiber, Rustam Z Khaliullin
Contribution of the Covalent Component of the Hydrogen-Bond Network to the Properties of Liquid Water. The journal of physical chemistry. A 122 (37) (2018)
Ruben Staub, Marcella Iannuzzi, Rustam Z Khaliullin, Stephan N Steinmann
Energy Decomposition Analysis for Metal Surface-Adsorbate Interactions by Block Localized Wave Functions. Journal of chemical theory and computation 15 (1) (2018)