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발행년	- (예 : 2010-2015)

QM/MM Simulations of Afatinib-EGFR Addition: The Role of β-Dimethylaminomethyl Substitution

Academic Journal

Ma, S.; Patel, H.; Peeples, C.A.; Shen, J.

In: Journal of Chemical Theory and Computation. (Journal of Chemical Theory and Computation, 9 July 2024, 20(13):5528-5538)

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Tuning Structural and Optical Properties of Porphyrin-based Hydrogen-Bonded Organic Frameworks by Metal Insertion

Academic Journal

Tholen, P.; Yücesan, G.; Peeples, C.A.; Hanna, G.; Ayhan, M.M.; Zorlu, Y.; Wagner, L.; Baretzky, C.; Reineke, S.; Thomas, H.; Imbrasas, P.

In: Small. (Small, 8 December 2022, 18(49))

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Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity

Academic Journal

Andreychuk, N.R.; Vidjayacoumar, B.; Price, J.S.; Emslie, D.J.H.; Ayers, P.W.; Vargas-Baca, I.; Jenkins, H.A.; Britten, J.F.; Kervazo, S.; Vallet, V.; Gomes, A.S.P.; Réal, F.; Peeples, C.A.; Schreckenbach, G.

In: Chemical Science. (Chemical Science, 10 November 2022, 13(46):13748-13763)

Open Access (EBSCO) Web of Science JCR 저널정보 Scopus Find it@PNU

Coordination-Induced Band Gap Reduction in a Metal–Organic Framework

Academic Journal

Peeples, C.A.; Hanna, G.; Beckmann, J.; Çetinkaya, A.; Tholen, P.; Yücesan, G.; Zorlu, Y.; Bin Yu, K.; Yazaydin, O.; Schmitt, F.-J.

In: Chemistry - A European Journal. (Chemistry - A European Journal, 7 February 2022, 28(8))

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Raman and DFT Study of the H2S Scavenger Reaction of HET-TRZ under Simulated Contactor Tower Conditions

Academic Journal

Perez Pineiro, R.; Hendry, J.; Hoshowski, J.; Peeples, C.A.; Hanna, G.; Jenkins, A.

In: Industrial and Engineering Chemistry Research. (Industrial and Engineering Chemistry Research, 21 April 2021, 60(15):5394-5402)

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A 3D Cu-Naphthalene-Phosphonate Metal–Organic Framework with Ultra-High Electrical Conductivity

Academic Journal

Peeples, C.A.; Halldorson, Q.; Hanna, G.; Kober, D.; Gurlo, A.; Schmitt, F.-J.; Tholen, P.; Yücesan, G.; Siemensmeyer, K.; Çoşut, B.; Yazaydin, A.O.

In: Advanced Functional Materials. (Advanced Functional Materials, January 18, 2021, 31(3))

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Semiconductive microporous hydrogen-bonded organophosphonic acid frameworks

Academic Journal

Tholen, P.; Yücesan, G.; Peeples, C.A.; Hanna, G.; Schaper, R.; Wark, M.; Bayraktar, C.; Ayhan, M.M.; Çoşut, B.; Zorlu, Y.; Erkal, T.S.; Yazaydin, A.O.; Beckmann, J.

In: Nature Communications. (Nature Communications, 1 December 2020, 11(1))

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Phosphonate Metal–Organic Frameworks: A Novel Family of Semiconductors

Academic Journal

Siemensmeyer, K.; Peeples, C.A.; Hanna, G.; Tholen, P.; Yücesan, G.; Schmitt, F.-J.; Çoşut, B.

In: Advanced Materials. (Advanced Materials, 1 June 2020, 32(24))

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Implementation of the SM12 Solvation Model into ADF and Comparison with COSMO

Academic Journal

Peeples, C.A.; Schreckenbach, G.

In: Journal of Chemical Theory and Computation. (Journal of Chemical Theory and Computation, 9 August 2016, 12(8):4033-4041)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

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