| 093 / 1 |
Mechanism for linear and nonlinear optical effects in crystals of the Sr2Be2O7 family
|
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2011-06-09 |
| 093 / 1 |
Resolution of an Ancient Surface Anomaly ：Work Function Change Induced by N Adsorption on W{100}
|
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2011-06-09 |
| 096 / 1 |
Surface structures of atomic hydrogen adsorbed on Cu(111) surface studied by density-functional-theory calculations
|
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2011-06-09 |
| 093 / 1 |
Insight into association reactions on metal surfaces ： Density-functional theory studies of hydrogenation reactions on Rh(111)
|
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2011-06-09 |
| 099 / 1 |
First Principles Calculations of Linear and Second-Order Optical Responses in Rhombohedrally Distorted Perovskite Ternary Halides,CsGeX3(X=CI,Br,and I)
|
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2011-06-09 |
| 088 / 1 |
Pressure-induced change of the stereochemical activity of a lone electron pair
|
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2011-06-09 |
| 098 / 1 |
First-principles analysis of optical absorption edge in pure and fluorine-doped
SiO2 glass
|
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2011-06-09 |
| 091 / 1 |
單斜波硼酸鹽晶體BiB3O6的線性及非線性光學效應機制
|
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2011-06-09 |
| 090 / 1 |
2. 系及 系化合物的結構性質之平面波膺勢方法研究
|
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2011-06-09 |
| 090 / 1 |
3.L:B3O5, C5B3O5,CsLiB6O10的線性與非線性光學效應的機制
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2011-06-09 |
| 095 / 1 |
The mechanism of linear and nonlinear optical effects in fluoride crystals
|
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2011-06-09 |
| 092 / 1 |
SrBe3O4晶體中線性與非線性效應的機制
|
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2011-06-09 |
| 092 / 1 |
單壁碳管功函數之維度與吸附效應的第一原理計算
|
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2011-06-09 |
| 097 / 1 |
Influence of vacancy defect density on electrical properties of armchair single wall carbon nanotube
|
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2011-06-09 |
| 089 / 1 |
Mechanism for linear and nonlinear optical effects in β-BaB2O4 crystals
|
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2011-06-09 |
| 096 / 1 |
Band-gap modification of defective carbon nanotubes under a transverse electric field
|
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2011-06-09 |
| 090 / 1 |
1.以密度泛函理論研究在PH(III)上之化學吸附分子CO 及S 的交互作用
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2011-06-09 |
| 094 / 1 |
Dependence of workfunction on the geometries of single-walled carbon nanotubes
|
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2011-06-09 |
| 095 / 1 |
New infrared nonlinear optical crystal CsGeBr3 :Synthesis, structure and powder second-harmonic generation properties
|
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2011-06-09 |
| 095 / 1 |
Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field
|
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2011-06-09 |
| 096 / 1 |
Electro-optical modulation for a boron nitride nanotube probed by first-principles calculations
|
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2011-06-09 |
| 093 / 1 |
Cation substitution effects on structural, electronic and optical properties of nonlinear optical AgGa(SxSe1-x)2 crystals
|
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2011-06-09 |
| 094 / 1 |
Band-resolved analysis of nonlinear optical properties of crystalline and molecular materials
|
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2011-06-09 |
| 095 / 1 |
The prospect of beryllium-oxygen group to search for new nonlinear optical crystals
|
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2011-06-09 |
| 095 / 1 |
Ab initio study of the hygroscopic properties of borate crystals
|
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2011-06-09 |
| 091 / 1 |
斜方三元氮化物晶體之結構與光學特性的第一原理研究
|
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2011-06-09 |
| 091 / 1 |
在Cu3Pt(111)合金表面上一氧化碳氧化作用的密度泛函研究:與在Pt(111)及Cu(111)上之反應的比較
|
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2011-06-09 |
| 092 / 1 |
KDP及尿素晶體之線性與非線性光學效應的機制
|
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2011-06-09 |
| 099 / 1 |
Characterization of Vacancy Defect Interaction on the Electric Properties of Zigzag Single-Walled Carbon Nanotubes
|
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2011-06-09 |
| 092 / 1 |
KBc2Bo3F2(KBBF)晶體中線性與非線性光學效應之機制
|
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2011-06-09 |
| 097 / 1 |
First-principles analysis of the optical properties of structural disorder in SiO2 glass
|
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2011-06-09 |
| 097 / 1 |
Au on (111) and (110) surfaces of CeO2: A density-functional theory study
|
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2011-06-09 |
| 100 / 1 |
Eliminating ultraviolet optical absorption through Fe-impurity engineering:
Ab initio study of the nonlinear optical crystal K2Al2B2O7
|
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2012-10-23 |
| 100 / 1 |
Influencing range of vacancy defects in zigzag single-walled carbon nanotubes
|
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2012-10-23 |
| 101 / 1 |
Europium location in the AlN: Eu green phosphor prepared by a gas-reduction-nitridation route
|
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2013-05-15 |
| 101 / 1 |
Ab initio studies on the mechanism for linear and nonlinear optical effects in YAl3(BO3)4
|
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2013-05-15 |
| 102 / 1 |
Electronic band structures of Ge1−xSnx semiconductors: A first-principles density functional theory study
|
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2014-07-16 |
| 103 / 1 |
First-principles materials applications and design of nonlinear optical crystals
|
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2015-03-13 |
| 103 / 1 |
Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6
|
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2015-03-13 |
| 103 / 1 |
First-principle Studies on Enhanced Optical Stability of BaMgAl10O17:Eu2+ Phosphor by SiN Doping
|
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2015-03-13 |
| 103 / 1 |
Effects of intrinsic defects on electronic structure and optical properties of Ga-doped ZnO
|
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2015-03-13 |
| 103 / 1 |
Contribution of cations to the photoluminescence properties of Eu-doped barium oxonitridosilicates phosphors
|
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2015-03-13 |
| 103 / 1 |
p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn−1B2n−1O4n−2 (M = Cs/Rb, n = 3, 4, 6)
|
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2015-03-13 |
| 104 / 1 |
Layered B-site cation ordering: A key factor in ferrimagnetism of Y2MnCrO6
|
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2016-09-03 |
| 104 / 1 |
Evidence of “new hot spots” from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na 3 VO 2 B 6 O 11
|
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2016-09-03 |
| 104 / 1 |
The Influence of Hydrogen Bonding on the Nonlinear Optical Properties of a Semiorganic Material NH4B[D-(+)-C4H4O5]2‧H2O: A Theoretical Perspective
|
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2016-09-03 |
| 104 / 1 |
First-principles materials applications and design of nonlinear optical crystals
|
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2016-09-03 |
| 104 / 1 |
Role of Oxygen Vacancy on the Photoluminescence of BaMgSiO4:Eu Phosphors: Experimental and Theoretical Analysis
|
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2016-09-03 |
| 104 / 1 |
Simulated pressure-induced blue-shift of phase-matching region and nonlinear optical mechanism for K3B6O10X (X=Cl, Br)
|
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2016-09-03 |
| 105 / 1 |
Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals
|
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2017-05-18 |
| 105 / 1 |
Modification of the coordination environment of Eu2+ in Sr2SiO4:Eu2+ phosphors to achieve full color emission
|
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2017-05-18 |
| 105 / 1 |
Influence of N-anion-doping on the production and the photoluminescence properties of γ-Ca2SiO4:Ce3+ phosphors and the β → γ phase transformation
|
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2017-05-18 |
| 105 / 1 |
Intriguing luminescence properties of (Ba, Sr)3Si6O9N4: Eu2+ phosphors via modifying synthesis method and cation substitution
|
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2017-05-18 |
| 105 / 1 |
Wavelength-dependent optical transition mechanisms for light-harvesting of perovskite MAPbI3 solar cells using first-principles calculations
|
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2017-05-18 |
| 105 / 1 |
Development of nonlinear optical materials promoted by density functional theory simulations
|
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2017-05-18 |
| 105 / 1 |
The mechanism for the nonlinear optical properties in La9Na3B8O27, La2Na3B3O9 and La2CaB10O19: ab initio studies
|
|
2017-05-18 |
| 106 / 1 |
DFT Based Theoretical Study about the Contributions of Fluorine to Nonlinear Optical Properties in Borate Fluoride Crystals
|
|
2018-07-26 |
| 106 / 1 |
Insight the Luminescence Properties of AlON: Eu, Mg Phosphor under VUV Excitation
|
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2018-07-26 |
| 106 / 1 |
Molecular Construction Using (C3N3O3)3 - Anions: Analysis and Prospect for Inorganic Metal Cyanurates Nonlinear Optical Materials
|
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2018-07-26 |
| 106 / 1 |
First-Principles Assisted Prediction of the Nonlinear Optical Behavior of Mg3B7O13Cl Crystal
|
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2018-07-26 |
| 107 / 1 |
Insight into the evolution mechanism of carbon film and Eu valence in carbon coated BaMgAl10O17: Eu2+ phosphor annealed in air
|
|
2019-02-20 |
| 107 / 1 |
DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals：Choice for Better Anion
|
|
2019-02-20 |
| 107 / 1 |
DFT plus U study on the electronic structures and optical properties of pyrite and marcasite
|
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2019-02-20 |
| 107 / 1 |
ALiZnP(2)O(7) (A = Rb, Cs): Two Mixed Alkali Zinc Pyrophosphates Featuring a [Li2Zn2P4O20](14-) Anionic Skeleton
|
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2019-02-20 |
| 107 / 1 |
Water effect on band alignment of GaP: A theoretical insight into pyridinium catalyzed CO2 reduction
|
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2019-02-20 |
| 107 / 1 |
Luminescent properties and microstructure of SiC doped AlON: Eu2+ phosphors
|
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2019-02-20 |
| 108 / 1 |
Experimental and DFT insights of the Zn-doping effects on the visible-light photocatalytic water splitting and dye decomposition over Zn-doped BiOBr photocatalysts
|
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2020-04-15 |
| 108 / 1 |
BaV2O6‧H2O: A nonlinear optical crystal with a large bandgap
|
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2020-04-15 |
| 108 / 1 |
Cation substitution inducing gap changes and covalent interaction flexibility enhancing second harmonic generation responses in d(10) metal chalcogenides
|
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2020-04-15 |
| 108 / 1 |
Comparative Study on Surface Structure, Electronic Properties of Sulfide and Oxide Minerals: A First-Principles Perspective
|
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2020-04-15 |
| 108 / 1 |
The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation
|
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2020-04-15 |
| 108 / 1 |
Metal-cation substitutions induced the enhancement of second harmonic generation in A(8)BS(6) (A = Cu, and Ag; B = Si, Ge, and Sn)
|
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2020-04-15 |
| 108 / 1 |
Size effect and identified superior functional units enhancing second harmonic generation responses on the II-IV-V-2 type nonlinear optical crystals
|
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2020-04-15 |
| 108 / 1 |
Non-centrosymmetric BaNaP3O9 with a short deep-ultraviolet cutoff edge
|
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2020-04-15 |
| 108 / 1 |
A New Cadmium-Based Pb2Cd3(PO4)(2)(P2O7) with Two Types of Isolated P-O Groups
|
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2020-04-15 |
| 108 / 1 |
Hierarchy in nonlinear optical responses induced by metal cation tailoring effect in the In-containing chalcogenide compounds
|
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2020-04-15 |
| 110 / 1 |
Effects of P2O7 clusters arrangement on second harmonic generation responses of pyrophosphates
|
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2021-12-15 |
| 110 / 1 |
Tellurium-oxygen group enhanced birefringence in tellurium phosphates: a first-principles investigation
|
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2021-12-15 |
| 110 / 1 |
Different mechanism of response of asymmetric lone pair electrons around ns2 cations to birefringence and second harmonic generation
|
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2021-12-15 |
| 110 / 1 |
First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates
|
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2021-12-15 |
| 110 / 1 |
A2BBi2(PO4)2(P2O7) (A = K, Rb, B = Pb, Cd): the Effect of Cation Sizes on Structural Evolution
|
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2021-12-15 |
| 110 / 1 |
Finding Optimal Mid-Infrared Nonlinear Optical Materials in Germanates by First-Principles High-Throughput Screening and Experimental Verification
|
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2021-12-15 |
| 110 / 1 |
Two Pyrophosphates with Large Birefringences and Second-Harmonic Responses as Ultraviolet Nonlinear Optical Materials
|
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2021-12-15 |
| 110 / 1 |
A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses
|
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2021-12-15 |
| 110 / 1 |
Synthesis of G-La2Si2O7:Eu2+ phosphors by addition of AlF3: Experimental and theoretical analysis
|
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2021-12-15 |
| 110 / 1 |
One-Dimensional Double Chains in Sodium-Based Quaternary Chalcogenides Displaying Intriguing Red Emission and Large Optical Anisotropy
|
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2021-12-15 |
| 110 / 1 |
From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials
|
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2021-12-15 |
| 110 / 1 |
Infrared Nonlinear Optical Polymorphs α- and β-SrCu2SnS4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior
|
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2021-12-15 |
| 111 / 1 |
Different mechanism of stereochemical activity and birefringence in post-transition metal halides:A first-principles investigation
|
|
2023-11-29 |
| 111 / 1 |
Excitonic effect in black phosphorus oxides
|
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2023-11-29 |
| 111 / 1 |
Photoelectric properties of Sr2MgSi2O7: Eu2+ phosphors produced by co-precipitation method
|
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2023-11-29 |
| 111 / 1 |
K8Cd21Pb7(P2O7)16 and KCd2P3O10: Two new phosphates featuring special structure configurations
|
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2023-11-29 |
| 111 / 1 |
Distinctive modulation of optical anisotropy by halogens in alpha/beta-Cd-P-X (X = Cl, Br, and I)
|
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2023-11-29 |
| 112 / 1 |
Two Metal Phosphate Nonlinear Optical Materials Simultaneously Exhibiting Ultraviolet Transparence and a Large Birefringence
|
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2024-01-06 |
| 112 / 1 |
First-principles study of the influence of lone pair electrons and molecular groups on the birefringence of phosphate and fluorophosphate
|
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2024-01-06 |
| 112 / 1 |
Exploring the Stability of Single-Atom Catalysts Using the Density Functional Theory-Based Global Optimization Method: H2 Formation on VOx/γ-Al2O3(100)
|
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2024-01-06 |
| 112 / 1 |
Growth, Structure, and Optical Properties of a Nonlinear Optical Niobium Borate Crystal CsNbOB2O5 with Distorted NbO5 Square Pyramids
|
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2024-01-06 |
| 112 / 1 |
A first-principle investigate about the different response of birefringence and SHG from AB(3)O(6) (A = Bi, Sb) compounds
|
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2024-01-06 |
| 112 / 1 |
Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr3Ge2O4Te3
|
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2024-01-06 |
| 112 / 1 |
Finding the First Squarates Nonlinear OpticalCrystal NaHC4O4 center dot H2O with Strong SecondHarmonic Generation and Giant Birefringence
|
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2024-01-06 |
| 112 / 1 |
A Theoretical Perspective to Study the Optical Properties of Tetrafluoroborates
|
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2024-01-06 |
| 112 / 1 |
Enhanced solar-driven hydrogen evolution over ultrathin g-C3N4/ReSe2 heterojunction-like nanosheets with surface selenium vacancies
|
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2024-01-06 |
| 112 / 1 |
First-Principles Investigation About Different Sequence of Stereochemical Activity and Birefringence in Antimony Halides
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2024-01-06 |