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Items: 17

1.

Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates.

Nakano M, Okada K, Nagami T, Tonami T, Kishi R, Kitagawa Y.

Molecules. 2019 Feb 1;24(3). pii: E541. doi: 10.3390/molecules24030541.

2.

Quantum Master Equation Approach to Singlet Fission Dynamics in Pentacene Linear Aggregate Models: Size Dependences of Excitonic Coupling Effects.

Nakano M, Nagami T, Tonami T, Okada K, Ito S, Kishi R, Kitagawa Y, Kubo T.

J Comput Chem. 2019 Jan 5;40(1):89-104. doi: 10.1002/jcc.25539. Epub 2018 Sep 18.

PMID:
30226650
3.

Intermolecular Packing Effects on Singlet Fission in Oligorylene Dimers.

Nagami T, Ito S, Kubo T, Nakano M.

ACS Omega. 2017 Aug 31;2(8):5095-5103. doi: 10.1021/acsomega.7b00655. Epub 2017 Aug 29.

4.

Evaluation of Aromaticity for Open-Shell Singlet Dicyclopenta-Fused Acenes and Polyacenes Based on a Magnetically Induced Current.

Nagami T, Fujiyoshi JY, Tonami T, Watanabe KI, Yamane M, Okada K, Kishi R, Nakano M, Champagne B, Liégeois V.

Chemistry. 2018 Sep 12;24(51):13457-13466. doi: 10.1002/chem.201802696. Epub 2018 Aug 29.

PMID:
29985530
5.

Correction to "Design Principles of Electronic Couplings for Intramolecular Singlet Fission in Covalently-Linked Systems".

Ito S, Nagami T, Nakano M.

J Phys Chem A. 2017 Sep 28;121(38):7307. doi: 10.1021/acs.jpca.7b08483. Epub 2017 Sep 13. No abstract available.

PMID:
28902503
6.

Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups.

Kishi R, Katsurayama T, Ochi S, Makino A, Matsushita N, Saito M, Nagami T, Fujiyoshi JY, Nakano M.

ChemistryOpen. 2017 Jul 3;6(4):506-513. doi: 10.1002/open.201700083. eCollection 2017 Aug.

7.

Theoretical Study on the Open-Shell Singlet Nature and the Second Hyperpolarizabilities of Corannulene Derivatives with Two Phenoxyl Radicals.

Minamida Y, Matsui H, Fukuda K, Nagami T, Fujiyoshi JY, Yoneda K, Takamuku S, Kishi R, Kitagawa Y, Nakano M.

J Phys Chem A. 2017 Jun 1;121(21):4171-4179. doi: 10.1021/acs.jpca.7b03014. Epub 2017 May 19.

PMID:
28493719
8.

Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems.

Nakano M, Fukuda K, Ito S, Matsui H, Nagami T, Takamuku S, Kitagawa Y, Champagne B.

J Phys Chem A. 2017 Feb 2;121(4):861-873. doi: 10.1021/acs.jpca.6b11647. Epub 2017 Jan 20.

PMID:
28040897
9.

Tuning Nonlinear Optical Properties by Altering the Diradical and Charge-Transfer Characteristics of Chichibabin's Hydrocarbon Derivatives.

Fukuda K, Suzuki Y, Matsui H, Nagami T, Kitagawa Y, Champagne B, Kamada K, Yamamoto Y, Nakano M.

Chemphyschem. 2017 Jan 4;18(1):142-148. doi: 10.1002/cphc.201601226. Epub 2016 Nov 29.

PMID:
27862812
10.

Theoretical Study on the Second Hyperpolarizailities of Oligomeric Systems Composed of Carbon and Silicon π-Structures.

Matsui H, Nagami T, Takamuku S, Ito S, Kitagawa Y, Nakano M.

Molecules. 2016 Nov 15;21(11). pii: E1540.

11.

Diradical Character-Based Design for Singlet Fission of Bisanthene Derivatives: Aromatic-Ring Attachment and π-Plane Twisting.

Ito S, Nagami T, Nakano M.

J Phys Chem Lett. 2016 Oct 6;7(19):3925-3930. Epub 2016 Sep 22.

PMID:
27653705
12.

Origin of the Enhancement of the Second Hyperpolarizabilities of Metal-Carbon Bonds.

Takamuku S, Kitagawa Y, Nagami T, Fujiyoshi JY, Champagne B, Nakano M.

J Phys Chem A. 2016 Sep 1;120(34):6838-45. doi: 10.1021/acs.jpca.6b05711. Epub 2016 Aug 17.

PMID:
27486684
13.

Design Principles of Electronic Couplings for Intramolecular Singlet Fission in Covalently-Linked Systems.

Ito S, Nagami T, Nakano M.

J Phys Chem A. 2016 Aug 11;120(31):6236-41. doi: 10.1021/acs.jpca.6b07153. Epub 2016 Aug 2.

PMID:
27448100
14.

Open-Shell Singlet Nature and σ-/π-Conjugation Effects on the Third-Order Nonlinear Optical Properties of Si Chains: Polysilane and Poly(disilene-1,2-diyl).

Matsui H, Fukuda K, Ito S, Nagami T, Nakano M.

J Phys Chem A. 2016 Feb 18;120(6):948-55. doi: 10.1021/acs.jpca.5b11895. Epub 2016 Feb 3.

PMID:
26788867
15.

Density Analysis of Intra- and Intermolecular Vibronic Couplings toward Bath Engineering for Singlet Fission.

Ito S, Nagami T, Nakano M.

J Phys Chem Lett. 2015 Dec 17;6(24):4972-7. doi: 10.1021/acs.jpclett.5b02249. Epub 2015 Dec 3.

PMID:
26673196
16.

Diradical Character Tuning for the Third-Order Nonlinear Optical Properties of Quinoidal Oligothiophenes by Introducing Thiophene-S,S-dioxide Rings.

Kishi R, Ochi S, Izumi S, Makino A, Nagami T, Fujiyoshi JY, Matsushita N, Saito M, Nakano M.

Chemistry. 2016 Jan 22;22(4):1493-500. doi: 10.1002/chem.201503705. Epub 2015 Dec 16.

PMID:
26670676
17.

Interplay between Open-Shell Character, Aromaticity, and Second Hyperpolarizabilities in Indenofluorenes.

Fukuda K, Nagami T, Fujiyoshi JY, Nakano M.

J Phys Chem A. 2015 Oct 22;119(42):10620-7. doi: 10.1021/acs.jpca.5b08520. Epub 2015 Oct 13.

PMID:
26439606

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