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Quantum mechanical studies of 2D nanobiohybrids (Review Article) 

S. G. Stepanian, and L. Adamowicz

Low Temperature Physics 48, 278 (2022)

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Counterion atmosphere around DNA double helix: trapping of counterions at the nanoscale 

Sergiy Perepelytsya, and Oleksii Zdorevskyi

Low Temperature Physics 48, 293 (2022)

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Tautomers of 6-thiopurine in low-temperature Ar matrices: FTIR spectroscopy analysis and quantum mechanical calculations 

A. Yu. Ivanov, S. G. Stepanian, V. A. Karachevtsev, and L. Adamovicz

Low Temperature Physics 48, 301 (2022)

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Nano-engineering the evolution of skyrmion crystal in synthetic antiferromagnets   

Mangyuan Ma, Ke Huang, Yong Li, Sihua Li, Qiyuan Feng, Calvin Ching Ian Ang, Tianli Jin, Yalin Lu, Qingyou Lu, Wen Siang Lew, Fusheng Ma, and X. Renshaw Wang

Applied Physics Reviews 9, 021404 (2022)

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Generative design, manufacturing, and molecular modeling of 3D architected materials based on natural language input   

Yu-Chuan Hsu, Zhenze Yang, and Markus J. Buehler

APL Materials 10, 041107 (2022)

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White noise space analysis and multiplicative change of measures 

Daniel Alpay, Palle Jorgensen, and Motke Porat

J. Math. Phys. 63, 042102 (2022)

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Intercalation of metal–aluminum layered double hydroxides with anionic surfactants: Experimental and density functional theory studies   

Emem David, Chinyere Ayi Anyama, Ayi A. Ayi, Hitler Louis, and Charles O. Oseghale

AIP Advances 12, 045217 (2022)

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Tunable electronic structure in twisted WTe2/WSe2 heterojunction bilayer     

Zi-Si Chen, Wen-Ti Guo, Jiefeng Ye, Kehua Zhong, Jian-Min Zhang, and Zhigao Huang

AIP Advances 12, 045315 (2022)

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Characterization methods for defects and devices in silicon carbide   

M. E. Bathen, C. T.-K. Lew, J. Woerle, C. Dorfer, U. Grossner, S. Castelletto, and B. C. Johnson

Journal of Applied Physics 131, 140903 (2022)

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Unraveling multi-state molecular dynamics in single-molecule FRET experiments. I. Theory of FRET-lines     

Anders Barth, Oleg Opanasyuk, Thomas-Otavio Peulen, Suren Felekyan, Stanislav Kalinin, Hugo Sanabria, and Claus A. M. Seidel

J. Chem. Phys. 156, 141501 (2022)

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Tuning of the Dzyaloshinskii–Moriya interaction by He+ ion irradiation 

Hans T. Nembach, Emilie Jué, Kay Poetzger, Juergen Fassbender, Thomas J. Silva, and Justin M. Shaw

Journal of Applied Physics 131, 143901 (2022)

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Exploring the accuracy and usefulness of semi-empirically scaled ADC schemes by blending second and third order terms 

Marco Bauer, Adrian L. Dempwolff, Dirk R. Rehn, and Andreas Dreuw

J. Chem. Phys. 156, 144101 (2022)

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Selection of representative structures from large biomolecular ensembles   

Arthur Voronin, and Alexander Schug

J. Chem. Phys. 156, 144102 (2022)

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Graph neural networks accelerated molecular dynamics 

Zijie Li, Kazem Meidani, Prakarsh Yadav, and Amir Barati Farimani

J. Chem. Phys. 156, 144103 (2022)

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Investigating the high field transport properties of Janus WSSe and MoSSe by DFT analysis and Monte Carlo simulations   

Hsiu-Chi Pai, and Yuh-Renn Wu

Journal of Applied Physics 131, 144303 (2022)

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Radiative relaxation in isolated large carbon clusters: Vibrational emission versus recurrent fluorescence 

O. Lacinbala, F. Calvo, C. Dubosq, C. Falvo, P. Parneix, M. Rapacioli, A. Simon, and T. Pino

J. Chem. Phys. 156, 144305 (2022)

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Ultrafast infrared transient absorption spectroscopy of gas-phase Ni(CO)4 photodissociation at 261 nm 

Neil C. Cole-Filipiak, Jan Troß, Paul Schrader, Laura M. McCaslin, and Krupa Ramasesha

J. Chem. Phys. 156, 144306 (2022)

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The He– complex. I. Vibration-rotation-tunneling states and transition probabilities 

Michael E. Harding, Filippo Lipparini, Jürgen Gauss, Dieter Gerlich, Stephan Schlemmer, and Ad van der Avoird

J. Chem. Phys. 156, 144307 (2022)

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The He– complex. II. Infrared predissociation spectrum and energy term diagram 

Thomas Salomon, Stefan Brackertz, Oskar Asvany, Igor Savić, Dieter Gerlich, Michael E. Harding, Filippo Lipparini, Jürgen Gauss, Ad van der Avoird, and Stephan Schlemmer

J. Chem. Phys. 156, 144308 (2022)

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Atomistic simulation framework for molten salt vapor–liquid equilibrium prediction and its application to NaCl 

Leann Tran, Jiří Škvára, and William R. Smith

J. Chem. Phys. 156, 144501 (2022)

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The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations 

Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi, Hyeondeok Shin, Anouar Benali, and Kenneth D. Jordan

J. Chem. Phys. 156, 144702 (2022)

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Nascent structure memory erased in polymer stretching 

Wen Luo, Yihuan Yu, Jiping Wang, and Wenbing Hu

J. Chem. Phys. 156, 144904 (2022)

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Origin of strong Coulomb interactions in borophene: First-principles Wannier function analysis 

D. P. Rai, and C. E. Ekuma

Journal of Applied Physics 131, 145105 (2022)

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Investigation of veryintenseD3-band emission in multi-crystalline silicon wafers using electron microscopy and hyperspectral photoluminescence imaging   

Annett Thøgersen, Ingvild J. T. Jensen, Joachim S. Graff, Inga Gudem Ringdalen, Patricia Almeida Carvalho, Torbjørn Mehl, Junjie Zhu, Ingunn Burud, Espen Olsen, and Rune Søndenå

Journal of Applied Physics 131, 145703 (2022)

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N2, NO, and O2 molecules in LiGaO2 in both Ga and Li sites and their relation to the vacancies 

Klichchupong Dabsamut, Adisak Boonchun, and Walter R. L. Lambrecht

Journal of Applied Physics 131, 145705 (2022)

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On the transition from weak to strong shock response   

Neil K. Bourne, and Freya L. Bourne

Journal of Applied Physics 131, 145901 (2022)

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Determining the atom number from detection noise in a one-dimensional optical lattice clock   

Xiaotong Lu, Jingjing Xia, Benquan Lu, Yebing Wang, Tao Wang, and Hong Chang

Appl. Phys. Lett. 120, 151104 (2022)

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Strong quantum-confined excitation and emission from violet phosphorus quantum dots 

Y. W. Zhan, K. Yan, J. H. Wu, H. G. Zhu, J. Chen, S. L. Tang, Z. Y. Zhang, and X. L. Wu

Appl. Phys. Lett. 120, 151904 (2022)

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Parametrically driven THz magnon-pairs: Predictions toward ultimately fast and minimally dissipative switching 

G. Fabiani, and J. H. Mentink

Appl. Phys. Lett. 120, 152402 (2022)

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Bandgap tuning, high electrical conductivity, and room-temperature ferromagnetism in La- and V-doped SrSnO3 epitaxial films 

Li Zhao, Haozhe Li, Kai Lv, Haifeng Wang, and Qinzhuang Liu

Appl. Phys. Lett. 120, 153101 (2022)

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