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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 101, 2003 - Issue 1-2
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Original Articles

A theoretical study of transition metal hydroxides: CuOH, AgOH and AuOH

SHINJI IKEDA Department of Applied Chemistry, School of Engineering, University of Tokyo, Tokyo, 113-8656, Japan
,
TAKAHITO NAKAJIMA Department of Applied Chemistry, School of Engineering, University of Tokyo, Tokyo, 113-8656, Japan
&
KIMIHIKO HIRAO Department of Applied Chemistry, School of Engineering, University of Tokyo, Tokyo, 113-8656, Japan
Pages 105-110 | Received 17 Sep 2001, Accepted 19 Nov 2001, Published online: 25 Nov 2009

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Ping-Xia Zhang, Yong-Fang Zhao, Feng-You Hao, Guo-Hua Zhang, Xiu-Dan Song & Xin-Ying Li. (2008) Bonding analysis for NgMOH (Ng=Ar, Kr and Xe; M=Cu and Ag). Molecular Physics 106:8, pages 1007-1014.
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Articles from other publishers (43)

Kristopher M. Hess, Isaac F. Leach, Lisa Wijtenhorst, Hangyul Lee & Johannes E. M. N. Klein. (2024) Valence Tautomerism Induced Proton Coupled Electron Transfer:X−H Bond Oxidation with a Dinuclear Au(II) Hydroxide Complex. Angewandte Chemie International Edition 63:14.
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Kristopher M. Hess, Isaac F. Leach, Lisa Wijtenhorst, Hangyul Lee & Johannes E. M. N. Klein. (2024) Valence Tautomerism Induced Proton Coupled Electron Transfer:X−H Bond Oxidation with a Dinuclear Au(II) Hydroxide Complex. Angewandte Chemie 136:14.
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Silène Engbers & Johannes E. M. N. Klein. (2022) Understanding the Surprising Oxidation Chemistry of Au−OH Complexes. ChemPhysChem 24:1.
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Nutthaporn Malahom, Purim Jarujamrus, Wipark Anutrasakda, Atitaya Siripinyanond, Maliwan Amatatongchai, Daniel Citterio & Duangjai Nacapricha. (2022) Ag3PO4/Ag nanocomposite for selective and sensitive cyanide determination in food samples through catalytical colorimetry using a paper-based test kit. Sensors and Actuators B: Chemical 356, pages 131351.
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Jiangle Zhang, Zhengbo Qin, Chengxiang Jiao & Zichao Tang. (2019) Photoelectron imaging spectroscopic study and chemical-bonding analysis of AgOH and AgSH anions. Journal of Quantitative Spectroscopy and Radiative Transfer 233, pages 52-56.
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Jack C. Harms, Leah C. O'Brien & James J. O'Brien. (2019) Rotational analysis of the [15.1] A″– 1A′ transition of CuOH and CuOD observed at high resolution with Intracavity laser spectroscopy . Journal of Molecular Spectroscopy 362, pages 8-13.
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Zhengbo Qin, Hui Wang, Yangdi Ren, Xianfeng Zheng, Zhifeng Cui & Zichao Tang. (2018) Electron velocity map imaging and theoretical study on CuXH (X = O and S) anions. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 188, pages 85-89.
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Yanliang Zhao, Meishan Wang, Chuanlu Yang, Xiaoguang Ma & Yongjiang Yu. (2017) Computational anharmonic force fields of CuSH and CuSD. Journal of Physics B: Atomic, Molecular and Optical Physics 50:15, pages 155102.
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Bradley R. Visser, Matthew A. Addicoat, Jason R. Gascooke, Xinxing Zhang, Kit Bowen, Warren D. Lawrance & Gregory F. Metha. (2015) Photodetachment velocity map imaging of the 1A′ ←2A′ transition in the AuOH anion. Chemical Physics Letters 625, pages 164-167.
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Lan Cheng, Stella Stopkowicz & Jürgen Gauss. (2014) Analytic energy derivatives in relativistic quantum chemistry. International Journal of Quantum Chemistry 114:17, pages 1108-1127.
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Takahito NAKAJIMA. (2014) The Douglas–Kroll Approach. Journal of Computer Chemistry, Japan 13:1, pages 50-70.
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Ulmas Zhumaev, Alexander V. Rudnev, Jian-Feng Li, Akiyoshi Kuzume, Thu-Hien Vu & Thomas Wandlowski. (2013) Electro-oxidation of Au(111) in contact with aqueous electrolytes: New insight from in situ vibration spectroscopy. Electrochimica Acta 112, pages 853-863.
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Takahito Nakajima & Kimihiko Hirao. (2011) The Douglas–Kroll–Hess Approach. Chemical Reviews 112:1, pages 385-402.
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Akihito Koizumi, Kimichi Suzuki, Motoyuki Shiga & Masanori Tachikawa. (2011) Ab initio path integral simulation of AgOH(H 2 O) . International Journal of Quantum Chemistry 112:1, pages 136-139.
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Lan Cheng & Jürgen Gauss. (2011) Analytic second derivatives for the spin-free exact two-component theory. The Journal of Chemical Physics 135:24.
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Chaoxian Chi, Hua Xie, Yuzhen Li, Ran Cong, Mingfei Zhou & Zichao Tang. (2011) Photoelectron Imaging of Ag – (H 2 O) x and AgOH – (H 2 O) y ( x = 1,2, y = 0–4) . The Journal of Physical Chemistry A 115:21, pages 5380-5386.
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Fang Wang & Timothy C. Steimle. (2011) Optical Stark spectroscopy of the $\tilde B{}^1A^{\prime \prime} $B̃1A′′(000)←$\tilde X{}^1A^\prime $X̃1A′(000) system of copper hydroxide. The Journal of Chemical Physics 134:1.
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Rubicelia Vargas & Ana Martínez. (2011) Non-conventional hydrogen bonds: pterins-metal anions. Physical Chemistry Chemical Physics 13:28, pages 12775.
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Ping Xia Zhang, Yong Fang Zhao, Feng You Hao & Xin Ying Li. (2007) Bonding analysis for NgAuOH (Ng = Kr, Xe). International Journal of Quantum Chemistry 108:5, pages 937-944.
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Ankan Paul, Yukio Yamaguchi & Henry F. SchaeferIIIIII. (2007) Coupled cluster investigation on the low-lying electronic states of CuCN and CuNC and the ground state barrier to isomerization. The Journal of Chemical Physics 127:15.
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Weijun Zheng, Xiang Li, Soren Eustis, Andrej Grubisic, Owen Thomas, Helen de Clercq & Kit Bowen. (2007) Anion photoelectron spectroscopy of Au−(H2O)1,2, (D2O)1–4, and AuOH− . Chemical Physics Letters 444:4-6, pages 232-236.
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Xuefeng Wang & Lester Andrews. (2007) Infrared Spectroscopic Observation of the Group 13 Metal Hydroxides, M(OH) 1,2,3 (M =Al, Ga, In, and Tl) and HAl(OH) 2 . The Journal of Physical Chemistry A 111:10, pages 1860-1868.
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Benjamin F. Gherman, William B. Tolman & Christopher J. Cramer. (2006) Characterization of the structure and reactivity of monocopper–oxygen complexes supported by β‐diketiminate and anilido‐imine ligands. Journal of Computational Chemistry 27:16, pages 1950-1961.
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Xuefeng Wang & Lester Andrews. (2006) Infrared Spectra and Density Functional Calculations for the Sc(OH) 2,3 and HOScO Molecules and the Sc(OH) 2 + Cation in Solid Argon . The Journal of Physical Chemistry A 110:5, pages 1850-1858.
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Guillermo L. Beltramo, Tatyana E. Shubina & Marc T. M. Koper. (2005) Oxidation of Formic Acid and Carbon Monoxide on Gold Electrodes Studied by Surface‐Enhanced Raman Spectroscopy and DFT. ChemPhysChem 6:12, pages 2597-2606.
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Xuefeng Wang & Lester Andrews. (2005) Infrared Spectra and Structures for Group 4 Dihydroxide and Tetrahydroxide Molecules. The Journal of Physical Chemistry A 109:47, pages 10689-10701.
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Xuefeng Wang & Lester Andrews. (2005) Infrared Spectra and Structures of the Coinage Metal Dihydroxide Molecules. Inorganic Chemistry 44:24, pages 9076-9083.
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Xuefeng Wang & Lester Andrews. (2005) Infrared Spectra of M(OH) 1,2,4 (M = Pb, Sn) in Solid Argon . The Journal of Physical Chemistry A 109:40, pages 9013-9020.
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Xuefeng Wang & Lester Andrews. (2005) Infrared Spectrum and Structure of the Hf(OH) 4 Molecule . Inorganic Chemistry 44:20, pages 7189-7193.
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Rebecca R. Conry. 2012. Encyclopedia of Inorganic and Bioinorganic Chemistry. Encyclopedia of Inorganic and Bioinorganic Chemistry.
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Suyun Wang, Ankan Paul, Nathan J. DeYonker, Yukio Yamaguchi & Henry F. SchaeferIIIIII. (2005) The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH). The Journal of Chemical Physics 123:1.
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Xuefeng Wang & Lester Andrews. (2005) Infrared spectra and structures of the Th(OH)2 and Th(OH)4 molecules. Physical Chemistry Chemical Physics 7:22, pages 3834.
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Xuefeng Wang & Lester Andrews. (2005) Infrared spectrum and structure of the gold dihydroxide molecule. Chemical Communications:31, pages 4001.
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Pekka Pyykkö. (2004) Theoretical Chemistry of Gold. Angewandte Chemie International Edition 43:34, pages 4412-4456.
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Pekka Pyykkö. (2004) Theoretische Chemie des Golds. Angewandte Chemie 116:34, pages 4512-4557.
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Alexander Wolf, Markus Reiher & Bernd Artur Hess. (2004) Correlated ab initio calculations of spectroscopic parameters of SnO within the framework of the higher-order generalized Douglas–Kroll transformation . The Journal of Chemical Physics 120:18, pages 8624-8631.
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