Works matching AU Yasutaka Kitagawa

Results: 136

Synthesis, characterization, and magnetic interactions of carbazole-9-oxyl and its derivatives.

Published in:

Bulletin of the Chemical Society of Japan, 2025, v. 98, n. 8, p. 1, doi. 10.1093/bulcsj/uoaf072

By:

Kuno, Yuka;
Shimizu, Akihiro;
Shiomi, Daisuke;
Sato, Kazunobu;
Takui, Takeji;
Kishi, Ryohei;
Kitagawa, Yasutaka;
Shintani, Ryo

Publication type:

Article

Theoretical Study on Redox Potential Control of Iron-Sulfur Cluster by Hydrogen Bonds: A Possibility of Redox Potential Programming.

Published in:

Molecules, 2021, v. 26, n. 20, p. 6129, doi. 10.3390/molecules26206129

By:

Era, Iori;
Kitagawa, Yasutaka;
Yasuda, Natsumi;
Kamimura, Taigo;
Amamizu, Naoka;
Sato, Hiromasa;
Cho, Keigo;
Okumura, Mitsutaka;
Nakano, Masayoshi

Publication type:

Article

Structural and Magnetic Studies on Nickel(II) and Cobalt(II) Complexes with Polychlorinated Diphenyl(4-pyridyl)methyl Radical Ligands.

Published in:

Molecules, 2021, v. 26, n. 18, p. 5596, doi. 10.3390/molecules26185596

By:

Matsuoka, Ryota;
Yoshimoto, Tatsuhiro;
Kitagawa, Yasutaka;
Kusamoto, Tetsuro

Publication type:

Article

Theoretical Study on the Difference in Electron Conductivity of a One-Dimensional Penta-Nickel(II) Complex between Anti-Ferromagnetic and Ferromagnetic States—Possibility of Molecular Switch with Open-Shell Molecules.

Published in:

Molecules, 2019, v. 24, n. 10, p. 1956, doi. 10.3390/molecules24101956

By:

Kitagawa, Yasutaka;
Tada, Hayato;
Era, Iori;
Fujii, Takuya;
Ikenaga, Kazuki;
Nakano, Masayoshi;
McPhee, Derek J.

Publication type:

Article

A BODIPY-Bridged Bisphenoxyl Diradicaloid: Solvent-Dependent Diradical Character and Physical Properties.

Published in:

Molecules, 2019, v. 24, n. 8, p. 1446, doi. 10.3390/molecules24081446

By:

Miao, Fang;
Phan, Hoa;
Wu, Jishan;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

Light-Induced Control of the Spin Distribution on Cu–Dithiolene Complexes: A Correlated Ab Initio Study.

Published in:

Molecules, 2019, v. 24, n. 6, p. 1088, doi. 10.3390/molecules24061088

By:

Zapata-Rivera, Jhon;
Calzado, Carmen J.;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems.

Published in:

Molecules, 2019, v. 24, n. 4, p. 821, doi. 10.3390/molecules24040821

By:

Kitakawa, Colin K.;
Maruyama, Tomohiro;
Oonari, Jinta;
Mitsuta, Yuki;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi;
Yamanaka, Shusuke;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

A Density Functional Theory-Based Scheme to Compute the Redox Potential of a Transition Metal Complex: Applications to Heme Compound.

Published in:

Molecules, 2019, v. 24, n. 4, p. 819, doi. 10.3390/molecules24040819

By:

Matsui, Toru;
Song, Jong-Won;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

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

Published in:

Molecules, 2019, v. 24, n. 3, p. 541, doi. 10.3390/molecules24030541

By:

Nakano, Masayoshi;
Okada, Kenji;
Nagami, Takanori;
Tonami, Takayoshi;
Kishi, Ryohei;
Kitagawa, Yasutaka

Publication type:

Article

Extent of Spin Contamination Errors in DFT/Plane-wave Calculation of Surfaces: A Case of Au Atom Aggregation on a MgO Surface.

Published in:

Molecules, 2019, v. 24, n. 3, p. 505, doi. 10.3390/molecules24030505

By:

Tada, Kohei;
Maruyama, Tomohiro;
Koga, Hiroaki;
Okumura, Mitsutaka;
Tanaka, Shingo;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

Synthesis, Characterization, Absorption Properties, and Electronic Structures of Paddlewheel-Type Dirhodium(II) Tetra-μ-(n-naphthoate) Complexes: An Experimental and Theoretical Study.

Published in:

Molecules, 2019, v. 24, n. 3, p. 447, doi. 10.3390/molecules24030447

By:

Kataoka, Yusuke;
Fukumoto, Raiki;
Yano, Natsumi;
Atarashi, Daiki;
Tanaka, Hidekazu;
Kawamoto, Tatsuya;
Handa, Makoto;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

Curve Effect on Singlet Diradical Contribution in Kekulé-type Diradicals: A Sensitive Probe for Quinoidal Structure in Curved π-Conjugated Molecules.

Published in:

Molecules, 2019, v. 24, n. 1, p. 209, doi. 10.3390/molecules24010209

By:

Matsumoto, Misaki;
Antol, Ivana;
Abe, Manabu;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

Structural Changes of the Trinuclear Copper Center in Bilirubin Oxidase upon Reduction.

Published in:

Molecules, 2019, v. 24, n. 1, p. 76, doi. 10.3390/molecules24010076

By:

Tokiwa, Takaki;
Shoji, Mitsuo;
Sladek, Vladimir;
Shibata, Naoki;
Higuchi, Yoshiki;
Kataoka, Kunishige;
Sakurai, Takeshi;
Shigeta, Yasuteru;
Misaizu, Fuminori;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical Results.

Published in:

Molecules, 2018, v. 23, n. 12, p. 3332, doi. 10.3390/molecules23123332

By:

Saito, Toru;
Fujiwara, Manami;
Takano, Yu;
Kitagawa, Yasutaka;
Kishi, Ryohei;
Nakano, Masayoshi

Publication type:

Article

Quantum Chemical Design Guidelines for Absorption and Emission Color Tuning of fac-Ir(ppy)3 Complexes.

Published in:

Molecules, 2018, v. 23, n. 3, p. 577, doi. 10.3390/molecules23030577

By:

Yoshiki Natori;
Yasutaka Kitagawa;
Shogo Aoki;
Rena Teramoto;
Hayato Tada;
Iori Era;
Masayoshi Nakano

Publication type:

Article

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

Published in:

Molecules, 2016, v. 21, n. 11, p. 1540, doi. 10.3390/molecules21111540

By:

Hiroshi Matsui;
Takanori Nagami;
Shota Takamuku;
Soichi Ito;
Yasutaka Kitagawa;
Masayoshi Nakano

Publication type:

Article

Immobilization of CO2 at Room Temperature Using the Specific Sub‐NM Space of 1D Uneven‐Structured C60 Polymer Film.

Published in:

Advanced Sustainable Systems, 2021, v. 5, n. 1, p. 1, doi. 10.1002/adsu.202000156

By:

Nakaya, Masato;
Kitagawa, Yasutaka;
Watanabe, Shinta;
Teramoto, Rena;
Era, Iori;
Nakano, Masayoshi;
Onoe, Jun

Publication type:

Article

Anion-exchange Experiment of Zr, Hf, and Th in HNO3 and Quantum Chemical Study on the Nitrate Complexes toward Chemical Research on Element 104, Rf.

Published in:

Solvent Extraction & Ion Exchange, 2022, v. 40, n. 6, p. 590, doi. 10.1080/07366299.2021.2020956

By:

Watanabe, Eisuke;
Kasamatsu, Yoshitaka;
Yokokita, Takuya;
Hayami, Sho;
Tonai, Katsuma;
Ninomiya, Hidemi;
Kondo, Narumi;
Shigekawa, Yudai;
Haba, Hiromitsu;
Kitagawa, Yasutaka;
Nakano, Masayoshi;
Shinohara, Atsushi

Publication type:

Article

Theoretical Study on Singlet Fission Dynamics and Triplet Migration Process in Symmetric Heterotrimer Models.

Published in:

Molecules, 2024, v. 29, n. 22, p. 5449, doi. 10.3390/molecules29225449

By:

Miyamoto, Hajime;
Okada, Kenji;
Tada, Kohei;
Kishi, Ryohei;
Kitagawa, Yasutaka

Publication type:

Article

Theoretical Study on the Open-Shell Electronic Structure and Electron Conductivity of [18]Annulene as a Molecular Parallel Circuit Model.

Published in:

Nanomaterials (2079-4991), 2024, v. 14, n. 1, p. 98, doi. 10.3390/nano14010098

By:

Amamizu, Naoka;
Nishida, Mitsuhiro;
Sasaki, Keisuke;
Kishi, Ryohei;
Kitagawa, Yasutaka

Publication type:

Article

Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 4-6, p. 749, doi. 10.1007/s00214-011-0941-9

By:

Saito, Toru;
Nishihara, Satomichi;
Yamanaka, Shusuke;
Kitagawa, Yasutaka;
Kawakami, Takashi;
Yamada, Satoru;
Isobe, Hiroshi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

Systematic Investigation on Surface Diradicals Using Theoretical Models: 2M/MgO and 2M/BaO (M = Cu, Ag, and Au).

Published in:

Chemistry (2624-8549), 2024, v. 6, n. 6, p. 1572, doi. 10.3390/chemistry6060095

By:

Tada, Kohei;
Masuda, Koki;
Kishi, Ryohei;
Kitagawa, Yasutaka

Publication type:

Article

Theoretical Study on One- and Two-Photon Absorption Properties of π-Stacked Multimer Models of Phenalenyl Radicals.

Published in:

Chemistry (2624-8549), 2024, v. 6, n. 6, p. 1427, doi. 10.3390/chemistry6060085

By:

Yokoyama, Masako;
Kishi, Ryohei;
Kitagawa, Yasutaka

Publication type:

Article

Unraveling the reasons behind lead phthalocyanine acting as a good absorber for near-infrared sensitive devices.

Published in:

Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-12990-z

By:

Kato, Masahiro;
Yoshizawa, Hayato;
Nakaya, Masato;
Kitagawa, Yasutaka;
Okamoto, Koichi;
Yamada, Tomoaki;
Yoshino, Masahito;
Tanaka, Kentaro;
Onoe, Jun

Publication type:

Article

Densely Packed CO2 Aids Charge, Spin, and Lattice Ordering Partially Fluctuated in a Porous Metal–Organic Framework Magnet.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 48, p. 1, doi. 10.1002/anie.202312205

By:

Kosaka, Wataru;
Hiwatashi, Yoshie;
Amamizu, Naoka;
Kitagawa, Yasutaka;
Zhang, Jun;
Miyasaka, Hitoshi

Publication type:

Article

Back Cover: A Host–Guest Electron Transfer Mechanism for Magnetic and Electronic Modifications in a Redox‐Active Metal–Organic Framework (Angew. Chem. Int. Ed. 18/2022).

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 18, p. 1, doi. 10.1002/anie.202204294

By:

Zhang, Jun;
Kosaka, Wataru;
Kitagawa, Yasutaka;
Miyasaka, Hitoshi

Publication type:

Article

A Host–Guest Electron Transfer Mechanism for Magnetic and Electronic Modifications in a Redox‐Active Metal–Organic Framework.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 18, p. 1, doi. 10.1002/anie.202115976

By:

Zhang, Jun;
Kosaka, Wataru;
Kitagawa, Yasutaka;
Miyasaka, Hitoshi

Publication type:

Article

Ferroelectric and Spin Crossover Behavior in a Cobalt(II) Compound Induced by Polar‐Ligand‐Substituent Motion.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 23, p. 12717, doi. 10.1002/anie.202015322

By:

Akiyoshi, Ryohei;
Komatsumaru, Yuki;
Donoshita, Masaki;
Dekura, Shun;
Yoshida, Yukihiro;
Kitagawa, Hiroshi;
Kitagawa, Yasutaka;
Lindoy, Leonard F.;
Hayami, Shinya

Publication type:

Article

Host–Guest Hydrogen Bonding Varies the Charge‐State Behavior of Magnetic Sponges.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 22, p. 7351, doi. 10.1002/anie.201902301

By:

Zhang, Jun;
Kosaka, Wataru;
Kitagawa, Yasutaka;
Miyasaka, Hitoshi

Publication type:

Article

Frontispiece: Control of the Spin Dynamics of Single‐Molecule Magnets by using a Quasi One‐Dimensional Arrangement.

Published in:

2018

By:

Katoh, Keiichi;
Yamashita, Satoshi;
Yasuda, Nobuhiro;
Kitagawa, Yasutaka;
Breedlove, Brian K.;
Nakazawa, Yasuhiro;
Yamashita, Masahiro

Publication type:

Image

Control of the Spin Dynamics of Single‐Molecule Magnets by using a Quasi One‐Dimensional Arrangement.

Published in:

Angewandte Chemie International Edition, 2018, v. 57, n. 30, p. 9262, doi. 10.1002/anie.201803161

By:

Katoh, Keiichi;
Yamashita, Satoshi;
Yasuda, Nobuhiro;
Kitagawa, Yasutaka;
Breedlove, Brian K.;
Nakazawa, Yasuhiro;
Yamashita, Masahiro

Publication type:

Article

Mild Hydrogenation of Amides to Amines over a Platinum-Vanadium Bimetallic Catalyst.

Published in:

Angewandte Chemie International Edition, 2017, v. 56, n. 32, p. 9381, doi. 10.1002/anie.201704199

By:

Mitsudome, Takato;
Miyagawa, Kazuya;
Maeno, Zen;
Mizugaki, Tomoo;
Jitsukawa, Koichiro;
Yamasaki, Jun;
Kitagawa, Yasutaka;
Kaneda, Kiyotomi

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2019, v. 40, n. 1, p. 89, doi. 10.1002/jcc.25539

By:

Nakano, Masayoshi;
Nagami, Takanori;
Tonami, Takayoshi;
Okada, Kenji;
Ito, Soichi;
Kishi, Ryohei;
Kitagawa, Yasutaka;
Kubo, Takashi

Publication type:

Article

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

Published in:

ChemPhysChem, 2017, v. 18, n. 1, p. 142, doi. 10.1002/cphc.201601226

By:

Fukuda, Kotaro;
Suzuki, Yuta;
Matsui, Hiroshi;
Nagami, Takanori;
Kitagawa, Yasutaka;
Champagne, Benoît;
Kamada, Kenji;
Yamamoto, Yohsuke;
Nakano, Masayoshi

Publication type:

Article

DFT calculations for aerobic oxidation of alcohols over neutral Au 6 cluster.

Published in:

Molecular Physics, 2014, v. 112, n. 3/4, p. 385, doi. 10.1080/00268976.2013.828857

By:

Sakata, Kohei;
Tada, Kohei;
Yamada, Satoru;
Kitagawa, Yasutaka;
Kawakami, Takashi;
Yamanaka, Shusuke;
Okumura, Mitsutaka

Publication type:

Article

DFT calculations for Au adsorption onto a reduced TiO 2 (110) surface with the coexistence of Cl.

Published in:

Molecular Physics, 2014, v. 112, n. 3/4, p. 365, doi. 10.1080/00268976.2013.822113

By:

Tada, Kohei;
Sakata, Kohei;
Yamada, Satoru;
Okazaki, Kazuyuki;
Kitagawa, Yasutaka;
Kawakami, Takashi;
Yamanaka, Shusuke;
Okumura, Mitsutaka

Publication type:

Article

MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions.

Published in:

Molecular Physics, 2010, v. 108, n. 19/20, p. 2559, doi. 10.1080/00268976.2010.512571

By:

Nishihara, Satomichi;
Saito, Toru;
Yamanaka, Shusuke;
Kitagawa, Yasutaka;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

MkMRCC, APUCC, APUBD calculations of didehydronated species: comparison among calculated through-bond effective exchange integrals for diradicals.

Published in:

Molecular Physics, 2010, v. 108, n. 19/20, p. 2533, doi. 10.1080/00268976.2010.508755

By:

Saito, Toru;
Nishihara, Satomichi;
Yamanaka, Shusuke;
Kitagawa, Yasutaka;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

Theoretical investigation of magnetic parameters in two-dimensional sheets of pure organic BEDT-TTF and BETS molecules by using ab initio MO and DFT methods.

Published in:

Molecular Physics, 2002, v. 100, n. 16, p. 2641, doi. 10.1080/00268970210136366

By:

Kawakami, Takashi;
Taniguchi, Takeshi;
Kitagawa, Yasutaka;
Takano, Yu;
Nagao, Hidemi;
Yamaguchi, Kizashi

Publication type:

Article

Instability of a system and its estimation in terms of the hybrid density functional theory method: a magnetic effective density functional (MEDF) approach.

Published in:

Molecular Physics, 2002, v. 100, n. 11, p. 1829, doi. 10.1080/00268970110117953

By:

Kitagawa, Yasutaka;
Kawakami, Takashi;
Yamaguchi, Kizashi

Publication type:

Article

Theoretical investigation for the stability of the concave-bound cyclopentadienyl iron complex of sumanene.

Published in:

International Journal of Quantum Chemistry, 2013, v. 113, n. 4, p. 437, doi. 10.1002/qua.24057

By:

Okumura, Mitsutaka;
Nakanishi, Yasuyuki;
Kinoshita, Keiji;
Yamada, Satoru;
Kitagawa, Yasutaka;
Kawakami, Takashi;
Yamanaka, Shunsuke;
Amaya, Toru;
Hirao, Toshikazu

Publication type:

Article

Theory of chemical bonds in metalloenzymes. XVII. Symmetry breaking in manganese cluster structures and chameleonic mechanisms for the OO bond formation of water splitting reaction.

Published in:

International Journal of Quantum Chemistry, 2012, v. 112, n. 1, p. 121, doi. 10.1002/qua.23255

By:

Saito, Toru;
Shoji, Mitsuo;
Kanda, Keita;
Isobe, Hiroshi;
Yamanaka, Shusuke;
Kitagawa, Yasutaka;
Yamada, Satoru;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

DFT calculations for the heterojunction effect between metal clusters and the stabilizer molecules.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 15, p. 2903, doi. 10.1002/qua.22838

By:

Okumura, Mitsutaka;
Kitagawa, Yasutaka;
Kawakami, Takashi

Publication type:

Article

UNO- and ULO-MRCC(Mk), AP-UCC and AP-UBD approaches to diradical systems.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 15, p. 3015, doi. 10.1002/qua.22885

By:

Nishihara, Satomich;
Yamanaka, Shusuke;
Saito, Tohru;
Kitagawa, Yasutaka;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

Theory of chemical bonds in metalloenzymes. XV. Local singlet and triplet diradical mechanisms for radical coupling reactions in the oxygen evolution complex.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 15, p. 3101, doi. 10.1002/qua.22914

By:

Yamaguchi, Kizashi;
Shoji, Mitsuo;
Saito, Toru;
Isobe, Hiroshi;
Nishihara, Satomichi;
Koizumi, Kenichi;
Yamada, Satoru;
Kawakami, Takashi;
Kitagawa, Yasutaka;
Yamanaka, Shusuke;
Okumura, Mitsutaka

Publication type:

Article

Theory of chemical bonds in metalloenzymes. XIV. Correspondence between magnetic coupling mode and radical coupling mechanism in hydroxylations with methane monooxygenase and related species.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 15, p. 2955, doi. 10.1002/qua.22918

By:

Saito, Toru;
Shoji, Mitsuo;
Isobe, Hiroshi;
Yamanaka, Shusuke;
Kitagawa, Yasutaka;
Yamada, Satoru;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

Sequence-dependent proton-transfer reaction in stacked GC pair III: The influence of proton transfer to conductivity.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 12, p. 2221, doi. 10.1002/qua.22536

By:

Nakanishi, Yasuyuki;
Matsui, Toru;
Shigeta, Yasuteru;
Kitagawa, Yasutaka;
Saito, Toru;
Kataoka, Yusuke;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

Theory of chemical bonds in metalloenzymes XIII: Singlet and triplet diradical mechanisms of hydroxylations with iron-oxo species and P450 are revisited.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 15, p. 3723, doi. 10.1002/qua.22348

By:

Yamaguchi, Kizashi;
Yamanaka, Syusuke;
Isobe, Hiroshi;
Shoji, Mitsuo;
Saito, Toru;
Kitagawa, Yasutaka;
Okumura, Mitsutaka;
Shimada, Jiro

Publication type:

Article

Estimation of effective exchange integral value of polyradical systems based on the band calculation.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 15, p. 3632, doi. 10.1002/qua.22375

By:

Nakanishi, Yasuyuki;
Kitagawa, Yasutaka;
Saito, Toru;
Kataoka, Yusuke;
Matsui, Toru;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

Extended Hartree–Fock theory of chemical reactions. IX. Diradical and perepoxide mechanisms for oxygenations of ethylene with molecular oxygen and iron-oxo species are revisited.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 15, p. 3745, doi. 10.1002/qua.22388

By:

Yamaguchi, Kizashi;
Yamanaka, Syusuke;
Shimada, Jiro;
Isobe, Hiroshi;
Saito, Toru;
Shoji, Mitsuo;
Kitagawa, Yasutaka;
Okumura, Mitsutaka

Publication type:

Article