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RESEARCH PAPER · Journal of the American Chemical Society · 2011

K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge

Hongping Wu, Shilie Pan, Kenneth Reinhard Poeppelmeier, Hongyi Li, Dianzeng Jia, Zhaohui Chen, Xiaoyun Fan, Yun Mo Yang, James M. Rondinelli, Haosu Luo

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K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption EdgeOriginalNa2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal318NaSr3Be3B3O9F4: A Promising Deep‐Ultraviolet Nonlinear Optical Material Resulting from the Cooperative Alignment of the [Be3B3O12F]10− Anionic Group369NaSr3Be3B3O9F4: A Promising Deep‐Ultraviolet Nonlinear Optical Material Resulting from the Cooperative Alignment of the [Be3B3O12F]10− Anionic Group67Growth, thermal and optical properties of a novel nonlinear optical material K 3 B 6 O 10 Cl57Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials526Rational Synthesis of Noncentrosymmetric Metal–Organic Frameworks for Second-Order Nonlinear Optics1005Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)198A new congruent-melting oxyborate, Pb 4 O(BO 3 ) 2 with optimally aligned BO 3 triangles adopting layered-type arrangement113A novel deep UV nonlinear optical crystal Ba3B6O11F2, with a new fundamental building block, B6O14 group180BaGa2MQ6 (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials199Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses65PbPt(IO3)6(H2O): a new polar material with two types of stereoactive lone-pairs and a very large SHG response80Second-Order Nonlinear Optical Materials Based on Metal Iodates, Selenites, and Tellurites60UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units97Na3Cd3B(PO4)4: A New Noncentrosymmetric Borophosphate with Zero-Dimensional Anion Units81A combination of multiple chromophores enhances second-harmonic generation in a nonpolar noncentrosymmetric oxide: CdTeMoO681Pb2TiOF(SeO3)2Cl and Pb2NbO2(SeO3)2Cl: small changes in structure induced a very large SHG enhancement117Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal‐Organic Framework338New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F367Cs2B4SiO9: A Deep‐Ultraviolet Nonlinear Optical Crystal278Cs2B4SiO9: A Deep‐Ultraviolet Nonlinear Optical Crystal224Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response598Zn2(VO4)(IO3): A Novel Polar Zinc(II) Vanadium(V) Iodate with a Large SHG Response94New Salt-Inclusion Borate, Li3Ca9(BO3)7·2[LiF]: A Promising UV NLO Material with the Coplanar and High Density BO3 Triangles56Cs2GeB4O9: a New Second-Order Nonlinear-Optical Crystal139Pb2B3O5.5(OH)2 and [Pb3(B3O7)](NO3): Facile Syntheses of New Lead(II) Borates by Simply Changing the pH Values of the Reaction Systems57Na8Lu2(CO3)6F2 and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials139Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials683Three New Mixed-Alkali- and Alkaline-Earth-Metal Borates: From 1D Chain to 2D Layer to 3D Framework57Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33249Ba3M2[B3O6(OH)]2[B4O7(OH)2] (M=Al, Ga): Two Novel UV Nonlinear Optical Metal Borates Containing Two Types of Oxoboron Clusters123CsPbCO3F: A Strong Second-Harmonic Generation Material Derived from Enhancement via p−π Interaction271Pb3B6O11F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response61Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br)462Noncentrosymmetric YVSe2O8 and Centrosymmetric YVTe2O8: Macroscopic Centricities Influenced by the Size of Lone Pair Cation Linkers63Cs 3 Zn 6 B 9 O 21 : A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response360A New UV Nonlinear Optical Material CsZn2B3O7: ZnO4 Tetrahedra Double the Efficiency of Second-Harmonic Generation121Analysis of Deep‐UV Nonlinear Optical Borates: Approaching the End213A Nitrate Nonlinear Optical Crystal Pb16(OH)16(NO3)16 with a Large Second-Harmonic Generation Response57Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F90Deep-Ultraviolet Transparent Phosphates RbBa 2 (PO 3 ) 5 and Rb 2 Ba 3 (P 2 O 7 ) 2 Show Nonlinear Optical Activity from Condensation of [PO 4 ] 3– Units355Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials65An Acentric Calcium Borate Ca2[B5O9]·(OH)·H2O: Synthesis, Structure, and Nonliner Optical Property94Na3Ba2(B3O6)2F: Next Generation of Deep-Ultraviolet Birefringent Materials190An outstanding second-harmonic generation material BiB 2 O 4 F: exploiting the electron-withdrawing ability of fluorine92ACdCO 3 F (A = K and Rb): new noncentrosymmetric materials with remarkably strong second-harmonic generation (SHG) responses enhanced via π-interaction61Efficient photocatalytic dechlorination of chlorophenols over a nonlinear optical material Na 3 VO 2 B 6 O 11 under UV-visible light irradiation62Simulated pressure-induced blue-shift of phase-matching region and nonlinear optical mechanism for K3B6O10X (X = Cl, Br)165Recent advances on second-order NLO materials based on metal iodates328Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal270Polar Polymorphism: α-, β-, and γ-Pb2Ba4Zn4B14O31–Synthesis, Characterization, and Nonlinear Optical Properties79Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System223RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material342Design and Synthesis of the Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Material Ba3(ZnB5O10)PO4302Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series114Na4MgM2Se6 (M = Si, Ge): The First Noncentrosymmetric Compounds with Special Ethane-like [M2Se6]6– Units Exhibiting Large Laser-Damage Thresholds57Li 3 AlSiO 5 : the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure55Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14169Recent development of metal borate halides: Crystal chemistry and application in second-order NLO materials341AMgPO 4 ·6H 2 O (A = Rb, Cs): strong SHG responses originated from orderly PO 4 groups59BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence properties98Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO 475KPb 2 (PO 3 ) 5 : a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge109Three new phosphates with isolated P 2 O 7 units: noncentrosymmetric Cs 2 Ba 3 (P 2 O 7 ) 2 and centrosymmetric Cs 2 BaP 2 O 7 and LiCsBaP 2 O 768Two New Non-centrosymmetric n = 3 Layered Dion–Jacobson Perovskites: Polar RbBi2Ti2NbO10 and Nonpolar CsBi2Ti2TaO1057Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family147Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302Deep‐Ultraviolet Nonlinear Optics in a Borate Framework with 21‐Ring Channels109Deep Ultraviolet Nonlinear Optical Materials647Emerging Multifunctional Metal–Organic Framework Materials1595Pb2BO3Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation381Pb2BO3Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation129Cd3(MoO4)(TeO3)2: A Polar 3D Compound Containing d10–d0 SCALP-Effect Cations85BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞ Layers and Short Phase-Matching Wavelength80Exploring the Origin of High Dechlorination Activity in Polar Materials M 2 B 5 O 9 Cl (M = Ca, Sr, Ba, Pb) with Built-In Electric Field70Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials258BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations55Na 2 CdGe 2 Q 6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses77Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)256Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response120M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications240Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F2185Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F278Phase-Matching in Nonlinear Optical Compounds: A Materials Perspective245Borate-Based Ultraviolet and Deep-Ultraviolet Nonlinear Optical Crystals58Li2HgMS4 (M = Si, Ge, Sn): New Quaternary Diamond-Like Semiconductors for Infrared Laser Frequency Conversion64Chemistry-Inspired Adaptable Framework Structures368Deep-Ultraviolet Nonlinear-Optical Material K3Sr3Li2Al4B6O20F: Addressing the Structural Instability Problem in KBe2BO3F2105CsB 4 O 6 F: A Congruent‐Melting Deep‐Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units185CsB4O6F: A Congruent‐Melting Deep‐Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units895Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials268Oxyhalides: prospecting ore for optical functional materials with large laser damage thresholds76Pb 2 BO 3 Br: a novel nonlinear optical lead borate bromine with a KBBF-type structure exhibiting strong nonlinear optical response113Perfect balance harmony in Ba 2 NO 3 (OH) 3 : a beryllium-free nitrate as a UV nonlinear optical material184From AgGaS2 to Li2ZnSiS4: Realizing Impressive High Laser Damage Threshold Together with Large Second-Harmonic Generation Response134Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)64Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials238Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals256The role of cations in second-order nonlinear optical materials based on π-conjugated [BO 3 ] 3− groups193Polar Fluorooxoborate, NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics495Polar Fluorooxoborate, NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics67Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions207Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials102Molten Salt Flux Synthesis, Crystal Facet Design, Characterization, Electronic Structure, and Catalytic Properties of Perovskite Cobaltite74Second-order nonlinear optical crystals with mixed anions251Ce(IO3)2F2⋅H2O: The First Rare‐Earth‐Metal Iodate Fluoride with Large Second Harmonic Generation Response66Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite62A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials99A 2 SrM IV S 4 (A = Li, Na; M IV = Ge, Sn) concurrently exhibiting wide bandgaps and good nonlinear optical responses as new potential infrared nonlinear optical materials78Co-crystal LiCl·(H 3 C 3 N 3 O 3 ): a promising solar-blind nonlinear optical crystal with giant nonlinearity from coplanar π-conjugated groups78K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal79Metal-free perovskites for non linear optical materials70Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li2Na2B2O5 Material with an Unvalued B2O5 Functional Gene284KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal314Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses67Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO 3 /BO 3 F Ratio in Layers99Agar and egg shell derived calcium carbonate and calcium hydroxide nanoparticles: Synthesis, characterization and applications63High-harmonic generation at the nanoscale boosted by bound states in the continuum158Extremely large nonlinear optical response and excellent electronic stability of true alkaline earthides based on hexaammine complexant84Synthesis of Co3O4 Nano Aggregates by Co-precipitation Method and its Catalytic and Fuel Additive Applications81A review of the AI2B II C IV DVI4 family as infrared nonlinear optical materials: the effect of each site on the structure and optical properties60BaF 2 TeF 2 (OH) 2 : A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering157Designing Silicates as Deep‐UV Nonlinear Optical (NLO) Materials using Edge‐Sharing Tetrahedra148Enhanced nonlinear optical functionality in birefringence and refractive index dispersion of the deep-ultraviolet fluorooxoborates123K4Sb(SO4)3Cl: The first apatite-type sulfate ultraviolet nonlinear optical material with sharply enlarged birefringence61A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107The impact of Cs3Bi2Cl9 single crystal growth modality on its symmetry and morphology64New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units63Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials137Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides113CsZn2BO3X2 (X2=F2, Cl2, and FCl): A Series of Beryllium‐Free Deep‐Ultraviolet Nonlinear‐Optical Crystals with Excellent Properties142The study of structure evolvement of KTiOPO4 family and their nonlinear optical properties98In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells135A 3 BBi(P 2 O 7 ) 2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses106How Does Bridging Core Modification Alter the Photovoltaic Characteristics of Triphenylamine‐Based Hole Transport Materials? Theoretical Understanding and Prediction129Borates: A Rich Source for Optical Materials1097Sn2B5O9Br as an Outstanding Bifunctional Material with Strong Second‐Harmonic Generation Effect and Large Birefringence84M(NH 2 SO 3 ) 2 (M=Sr, Ba): Two Deep‐Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation Responses and Moderate Birefringence141Theoretical Framework for Encapsulation of Inorganic B12N12 Nanoclusters with Alkaline Earth Metals for Efficient Hydrogen Adsorption: A Step Forward toward Hydrogen Storage Materials81K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material70Fluorine‐Driven Enhancement of Birefringence in the Fluorooxosulfate: A Deep Evaluation from a Joint Experimental and Computational Study139Rational design of a promising oxychalcogenide infrared nonlinear optical crystal60The Combination of Structure Prediction and Experiment for the Exploration of Alkali‐Earth Metal‐Contained Chalcopyrite‐Like IR Nonlinear Optical Material105A Hybrid Antiperovskite with Strong Linear and Second‐Order Nonlinear Optical Responses96The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band Gaps68Rb 3 B 11 P 2 O 23 : Materials Design of a New Chemically Benign Deep-Ultraviolet Nonlinear Optical Material58Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153Toward the ultraviolet (UV) or deep-UV nonlinear optical crystals: The combination of π-conjugated planar [XY3] and tetrahedral [XY4]80Assembly of π‐Conjugated [B3O6] Units by Mer‐Isomer [YO3F3] Octahedra to Design a UV Nonlinear Optical Material, Cs2YB3O6F296Rational Design and Controlled Synthesis of High-Performance Inorganic Short-Wave UV Nonlinear Optical Materials150

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  39. Na3Cd3B(PO4)4: A New Noncentrosymmetric Borophosphate with Zero-Dimensional Anion Units

    Inorganic Chemistry · 2012-09-24

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  40. Pb8M(BO3)6 (M = Zn, Cd): Two new isostructural lead borates compounds with two-dimensional ∞[Pb8B6O18]2− layer structure

    Solid State Sciences · 2012-10-17

    Zhenjun Huang, Shilie Pan, Zhihua Yang, Hongwei Yu, Xiaoyu Dong, Wenwu Zhao, Lingyun Dong, Xin Su

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  41. Synthesis, Crystal Structure, and Properties of a New Lead Aluminum Fluoride Borate, Pb6AlB2O7F7

    Zeitschrift für anorganische und allgemeine Chemie · 2012-10-30

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  42. An unusual seven-connected lead borate constructed by different cluster building units of {B 6 } and {Pb 6 }

    Dalton Transactions · 2012-11-15

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  43. Pb2B5O9Cl: a chloride borate with second harmonic generation effect

    Journal of Materials Science · 2012-12-05

    Zhaohui Chen, Shilie Pan, Zhihua Yang, Xiaoyu Dong, Xin Su, Yun Mo Yang

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  44. A first-principles investigation of the electronic, elastic, piezoelectric and acoustic properties of K3B6O10Cl

    Computational Materials Science · 2012-12-23

    Han Han, Gen Yin, Darshana Wickramaratne

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  45. A combination of multiple chromophores enhances second-harmonic generation in a nonpolar noncentrosymmetric oxide: CdTeMoO6

    Journal of Materials Chemistry C · 2013-01-01

    Sangen Zhao, Xingxing Jiang, Ran He, Shuquan Zhang, Zhihua Sun, Junhua Luo, Zheshuai Lin, Maochun Hong

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  46. BaClBF4: a new noncentrosymmetric pseudo-Aurivillius type material with transparency range from deep UV to middle IR and a high laser damage threshold

    Journal of Materials Chemistry C · 2013-01-01

    Min Zhang, Shilie Pan, Zhihua Yang, Ying Wang, Xin Su, Yun Mo Yang, Zhenjun Huang, Shujuan Han, Kenneth Reinhard Poeppelmeier

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  47. Crystal growth and efficient second-harmonic-generation of the monoclinic LaCa4O(BO3)3 crystal

    CrystEngComm · 2013-01-01

    Yanqing Liu, Lei Wei, Fapeng Yu, Zhengping Wang, Yongguang Zhao, Shuo Han, Xian Zhao, Xinguang Xu

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  48. Growth, optical and electrical properties of a nonlinear optical crystal NaBa4Al2B8O18Cl3

    CrystEngComm · 2013-01-01

    Jinzhi Fang, Kun‐Peng Wang, Xuechong Ren, Jianxiu Zhang, Guochun Zhang, Jiyang Wang, Yicheng Wu

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  49. Na2Cd7B8O20: a new noncentrosymmetric compound with special [B3O7] units

    CrystEngComm · 2013-01-01

    Lin Zhou, Shilie Pan, Xiaoyu Dong, Hongwei Yu, Hongping Wu, Fangfang Zhang, Zhongxiang Zhou

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  50. New compounds and structures in the solid state

    Annual Reports Section A (Inorganic Chemistry) · 2013-01-01

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