共 34 条
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[2]
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
[J].
Aquilante, Francesco
;
Autschbach, Jochen
;
Carlson, Rebecca K.
;
Chibotaru, Liviu F.
;
Delcey, Mickael G.
;
De Vico, Luca
;
Galvan, Ignacio Fdez
;
Ferre, Nicolas
;
Frutos, Luis Manuel
;
Gagliardi, Laura
;
Garavelli, Marco
;
Giussani, Angelo
;
Hoyer, Chad E.
;
Li Manni, Giovanni
;
Lischka, Hans
;
Ma, Dongxia
;
Malmqvist, Per Ake
;
Mueller, Thomas
;
Nenov, Artur
;
Olivucci, Massimo
;
Pedersen, Thomas Bondo
;
Peng, Daoling
;
Plasser, Felix
;
Pritchard, Ben
;
Reiher, Markus
;
Rivalta, Ivan
;
Schapiro, Igor
;
Segarra-Marti, Javier
;
Stenrup, Michael
;
Truhlar, Donald G.
;
Ungur, Liviu
;
Valentini, Alessio
;
Vancoillie, Steven
;
Veryazov, Valera
;
Vysotskiy, Victor P.
;
Weingart, Oliver
;
Zapata, Felipe
;
Lindh, Roland
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
2016, 37 (05)
:506-541

Aquilante, Francesco
论文数: 0 引用数: 0
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机构:
Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden
Univ Bologna, Dipartimento Chim G Ciamician, Via Selmi 2, IT-40126 Bologna, Italy Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Autschbach, Jochen
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SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Carlson, Rebecca K.
论文数: 0 引用数: 0
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机构:
Univ Minnesota, Inst Supercomp, Dept Chem, Minneapolis, MN 55455 USA
Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Chibotaru, Liviu F.
论文数: 0 引用数: 0
h-index: 0
机构:
Katholieke Univ Leuven, Div Quantum & Phys Chem, Celestijnenlaan 200F, B-3001 Heverlee, Belgium
Katholieke Univ Leuven, INPAC, Inst Nanoscale Phys & Chem, Celestijnenlaan 200F, B-3001 Heverlee, Belgium Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Delcey, Mickael G.
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机构:
Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

De Vico, Luca
论文数: 0 引用数: 0
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机构:
Univ Copenhagen, Dept Chem, Univ Pk 5, DK-2100 Copenhagen O, Denmark Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Galvan, Ignacio Fdez
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机构:
Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden
Uppsala Univ, Uppsala Ctr Computat Chem UC3, Box 518, S-75120 Uppsala, Sweden Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Ferre, Nicolas
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h-index: 0
机构:
Univ Aix Marseille, CNRS, Inst Chim Radicalaire, Campus Etoile St Jerome Case 521,Ave Esc, F-13397 Marseille 20, France Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Frutos, Luis Manuel
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h-index: 0
机构:
Univ Alcala, Unidad Docente Quim Fis, E-28871 Madrid, Spain Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Gagliardi, Laura
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Minnesota, Inst Supercomp, Dept Chem, Minneapolis, MN 55455 USA
Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

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Giussani, Angelo
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机构:
Univ Bologna, Dipartimento Chim G Ciamician, Via Selmi 2, IT-40126 Bologna, Italy Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Hoyer, Chad E.
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h-index: 0
机构:
Univ Minnesota, Inst Supercomp, Dept Chem, Minneapolis, MN 55455 USA
Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Li Manni, Giovanni
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Minnesota, Inst Supercomp, Dept Chem, Minneapolis, MN 55455 USA
Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA
Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Lischka, Hans
论文数: 0 引用数: 0
h-index: 0
机构:
Texas Tech Univ, Dept Chem & Biochem, Mem Circle & Boston, Lubbock, TX 79409 USA
Univ Vienna, Inst Theoret Chem, Wahringerstr 17, A-1090 Vienna, Austria Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Ma, Dongxia
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Minnesota, Inst Supercomp, Dept Chem, Minneapolis, MN 55455 USA
Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA
Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Malmqvist, Per Ake
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h-index: 0
机构:
Lund Univ, Ctr Chem, Dept Theoret Chem, POB 124, S-22100 Lund, Sweden Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Mueller, Thomas
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机构:
Forschungszentrum Julich, IAS, JSC, Wilhelm Johnen Str, D-52425 Julich, Germany Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Nenov, Artur
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Bologna, Dipartimento Chim G Ciamician, Via Selmi 2, IT-40126 Bologna, Italy Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Olivucci, Massimo
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Siena, Dept Biotechnol Chem & Pharm, Via Aldo Moro 2, I-53100 Siena, Italy
Bowling Green State Univ, Dept Chem, 141 Overman Hall, Bowling Green, OH 43403 USA
Univ Strasbourg, Inst Phys & Chim Mat Strasbourg, CNRS UMR 7504, 23 Rue Loess, F-67034 Strasbourg, France
Univ Strasbourg, Labex NIE, CNRS, UMR 7504, 23 Rue Loess, F-67034 Strasbourg, France
Hebrew Univ Jerusalem, Inst Chem, Fritz Haber Ctr Mol Dynam, IL-91904 Jerusalem, Israel Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Pedersen, Thomas Bondo
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Oslo, Dept Chem, Ctr Theoret & Computat Chem, POB 1033 Blindern, N-0315 Oslo, Norway Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Peng, Daoling
论文数: 0 引用数: 0
h-index: 0
机构:
S China Normal Univ, Coll Chem & Environm, Guangzhou 510006, Guangdong, Peoples R China Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Plasser, Felix
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Vienna, Inst Theoret Chem, Wahringerstr 17, A-1090 Vienna, Austria Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Pritchard, Ben
论文数: 0 引用数: 0
h-index: 0
机构:
SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Reiher, Markus
论文数: 0 引用数: 0
h-index: 0
机构:
ETH, Phys Chem Lab, Vladimir Prelog Weg 2, CH-8093 Zurich, Switzerland Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Rivalta, Ivan
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Lyon, CNRS, Ecole Normale Super Lyon, 46 Allee Italie, F-69364 Lyon 07, France Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Schapiro, Igor
论文数: 0 引用数: 0
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机构:
Univ Strasbourg, Inst Phys & Chim Mat Strasbourg, CNRS UMR 7504, 23 Rue Loess, F-67034 Strasbourg, France
Univ Strasbourg, Labex NIE, CNRS, UMR 7504, 23 Rue Loess, F-67034 Strasbourg, France Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Segarra-Marti, Javier
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Bologna, Dipartimento Chim G Ciamician, Via Selmi 2, IT-40126 Bologna, Italy Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Stenrup, Michael
论文数: 0 引用数: 0
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机构:
Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden
Uppsala Univ, Uppsala Ctr Computat Chem UC3, Box 518, S-75120 Uppsala, Sweden Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Truhlar, Donald G.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Minnesota, Inst Supercomp, Dept Chem, Minneapolis, MN 55455 USA
Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Ungur, Liviu
论文数: 0 引用数: 0
h-index: 0
机构:
Katholieke Univ Leuven, Div Quantum & Phys Chem, Celestijnenlaan 200F, B-3001 Heverlee, Belgium
Katholieke Univ Leuven, INPAC, Inst Nanoscale Phys & Chem, Celestijnenlaan 200F, B-3001 Heverlee, Belgium Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

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Vancoillie, Steven
论文数: 0 引用数: 0
h-index: 0
机构:
Lund Univ, Ctr Chem, Dept Theoret Chem, POB 124, S-22100 Lund, Sweden Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Veryazov, Valera
论文数: 0 引用数: 0
h-index: 0
机构:
Lund Univ, Ctr Chem, Dept Theoret Chem, POB 124, S-22100 Lund, Sweden Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Vysotskiy, Victor P.
论文数: 0 引用数: 0
h-index: 0
机构:
Lund Univ, Ctr Chem, Dept Theoret Chem, POB 124, S-22100 Lund, Sweden Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Weingart, Oliver
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Dusseldorf, Inst Theoret Chem & Computerchem, Univ Str 1, D-40225 Dusseldorf, Germany Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Zapata, Felipe
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Alcala, Unidad Docente Quim Fis, E-28871 Madrid, Spain Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden

Lindh, Roland
论文数: 0 引用数: 0
h-index: 0
机构:
Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden
Uppsala Univ, Uppsala Ctr Computat Chem UC3, Box 518, S-75120 Uppsala, Sweden Uppsala Univ, Theoret Chem Programme, Dept Chem Angstrom, Box 518, S-75120 Uppsala, Sweden
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Atwood D. A., 2012, RARE EARTH ELEMENTS
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Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets
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Chen, Yan-Cong
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Liu, Jun-Liang
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Ungur, Liviu
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Liu, Jiang
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Li, Quan-Wen
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Wang, Long-Fei
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Ni, Zhao-Ping
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Chibotaru, Liviu F.
;
Chen, Xiao-Ming
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Tong, Ming-Liang
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2016, 138 (08)
:2829-2837

Chen, Yan-Cong
论文数: 0 引用数: 0
h-index: 0
机构:
Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China

Liu, Jun-Liang
论文数: 0 引用数: 0
h-index: 0
机构:
Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China

Ungur, Liviu
论文数: 0 引用数: 0
h-index: 0
机构:
Katholieke Univ Leuven, Theory Nanomat Grp, B-3001 Louvain, Belgium
Katholieke Univ Leuven, INPAC, B-3001 Louvain, Belgium
Lund Univ, Theoret Chem, S-22241 Lund, Sweden Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China

论文数: 引用数:
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Li, Quan-Wen
论文数: 0 引用数: 0
h-index: 0
机构:
Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China

Wang, Long-Fei
论文数: 0 引用数: 0
h-index: 0
机构:
Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China

Ni, Zhao-Ping
论文数: 0 引用数: 0
h-index: 0
机构:
Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China

Chibotaru, Liviu F.
论文数: 0 引用数: 0
h-index: 0
机构:
Katholieke Univ Leuven, Theory Nanomat Grp, B-3001 Louvain, Belgium
Katholieke Univ Leuven, INPAC, B-3001 Louvain, Belgium Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China

Chen, Xiao-Ming
论文数: 0 引用数: 0
h-index: 0
机构:
Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China

Tong, Ming-Liang
论文数: 0 引用数: 0
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机构:
Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China
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CHIEN, JCW
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机构:
UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003 UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003

TSAI, WM
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h-index: 0
机构:
UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003 UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003

RAUSCH, MD
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h-index: 0
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UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003 UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003
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The first near-linear bis(amide) f-block complex: a blueprint for a high temperature single molecule magnet
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Chilton, Nicholas F.
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机构:
Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England

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Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England

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Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England

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Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England
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Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

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Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

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Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
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Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes
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Demir, Selvan
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Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

Zadrozny, Joseph M.
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h-index: 0
机构:
Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

Nippe, Michael
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h-index: 0
机构:
Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

Long, Jeffrey R.
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Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
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On Approaching the Limit of Molecular Magnetic Anisotropy: A Near-Perfect Pentagonal Bipyramidal Dysprosium(III) Single-Molecule Magnet
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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,
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Ding, You-Song
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机构:
Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710054, Peoples R China
Xi An Jiao Tong Univ, MOE Key Lab Nonequilibrium Synth & Modulat Conden, Xian 710054, Peoples R China Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710054, Peoples R China

Chilton, Nicholas F.
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h-index: 0
机构:
Univ Manchester, Sch Chem, Oxford Rd, Manchester M13 9PL, Lancs, England Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710054, Peoples R China

Winpenny, Richard E. P.
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h-index: 0
机构:
Univ Manchester, Sch Chem, Oxford Rd, Manchester M13 9PL, Lancs, England Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710054, Peoples R China

Zheng, Yan-Zhen
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h-index: 0
机构:
Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710054, Peoples R China
Xi An Jiao Tong Univ, MOE Key Lab Nonequilibrium Synth & Modulat Conden, Xian 710054, Peoples R China Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710054, Peoples R China
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机构: Service de Chimie Moléculaire, DSM, CEA Saclay