相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Complex coordinated functional groups: A great genes for nonlinear optical materials
Weikang Wang et al.
CHINESE CHEMICAL LETTERS (2022)
Anisotropic Thermal Expansion and Electronic Structure of LiInSe2
Victor V. Atuchin et al.
MOLECULES (2022)
Chemical Bonding Effects and Physical Properties of Noncentrosymmetric Hexagonal Fluorocarbonates ABCO3F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd)
Yuri Zhuravlev et al.
MOLECULES (2022)
Borates: A Rich Source for Optical Materials
Miriding Mutailipu et al.
CHEMICAL REVIEWS (2021)
BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the sixth period for solid-state calculations
Joachim Laun et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2021)
First-Principle Studies of the Vibrational Properties of Carbonates under Pressure
Yurii N. Zhuravlev et al.
SENSORS (2021)
BaZn3(BO3)2F2: a new beryllium-free zincoborate with a KBBF-type structure
Haotian Qiu et al.
DALTON TRANSACTIONS (2021)
Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles
Youchao Liu et al.
COORDINATION CHEMISTRY REVIEWS (2020)
NaZnCO3(OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe2BO3F2
Guang Peng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates
Yurii N. Zhuravlev et al.
NANOMATERIALS (2020)
BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations
Daniel Vilela Oliveira et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)
Research and Development of Zincoborates: Crystal Growth, Structural Chemistry and Physicochemical Properties
Yanna Chen et al.
MOLECULES (2019)
Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals
Chao Wu et al.
COORDINATION CHEMISTRY REVIEWS (2018)
Combination of d10-cations and fluorine anion as active participants to design novel borate/carbonate nonlinear optical materials
Beenish Bashir et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2018)
Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations
Joachim Laun et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
Quantum-mechanical condensed matter simulations with CRYSTAL
Roberto Dovesi et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
Structural and spectroscopic properties of new noncentrosymmetric self-activated borate Rb3EuB6O12 with B5O10 units
V. V. Atuchin et al.
MATERIALS & DESIGN (2018)
The Anisotropic Thermal Expansion of Non-linear Optical Crystal BaAlBO3F2 Below Room Temperature
Xingxing Jiang et al.
FRONTIERS IN CHEMISTRY (2018)
Comparative Interrelationship of the Structural, Nonlinear-Optical and Other Acentric Properties for Oxide, Borate and Carbonate Crystals
Boris I. Kidyarov
CRYSTALS (2017)
Deep Ultraviolet Nonlinear Optical Materials
T. Thao Tran et al.
CHEMISTRY OF MATERIALS (2016)
Positive and negative contribution to birefringence in a family of carbonates: A Born effective charges analysis
Qun Jing et al.
JOURNAL OF SOLID STATE CHEMISTRY (2016)
Growth, structure and optical properties of nonlinear optical crystal BaZnBO3F
Mingjun Xia et al.
JOURNAL OF SOLID STATE CHEMISTRY (2016)
Polarization-Dependent Third-Order Optical Nonlinearity of BaAlBO3F2 Crystal
Fangqin Li et al.
IEEE JOURNAL OF QUANTUM ELECTRONICS (2013)
Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. II. Validation and comparison with experiments
Lorenzo Maschio et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Tellurium and sulfur doped GaSe for mid-IR applications
Z. -H. Kang et al.
APPLIED PHYSICS B-LASERS AND OPTICS (2012)
Preparation and structural properties of nonlinear optical borates K2(1-x)Rb2xAl2B2O7, 0 < x < 0.75
V. V. Atuchin et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2012)
First-principles study of bonding, elasticity-relevant and acoustic properties of BaAlBO3F2
Zhenlong Lu et al.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2012)
Growth and structure redetermination of a nonlinear BaAlBO3F2 crystal
Zhanggui Hu et al.
SOLID STATE SCIENCES (2011)
Cation Coordination Control of Anionic Group Alignment to Maximize SHG Effects in the BaMBO3F (M = Zn, Mg) Series
R. K. Li et al.
INORGANIC CHEMISTRY (2010)
Derivative studies in hartree-fock and møller-plesset theories
J. A. Pople et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Ab initio calculations on the borate nonlinear optical crystal BaAlBO3F2
He Huang et al.
JOURNAL OF APPLIED PHYSICS (2009)
Nonlinear optical properties of BaAlBO3F2 crystal
Yong Zhou et al.
OPTICS EXPRESS (2009)
The Ag2S-In2S3-Si(Ge)S2 systems and crystal structure of quaternary sulfides Ag2In2Si(Ge)S6
V. P. Sachanyuk et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2008)
Coupled perturbed Hartree-Fock for periodic systems:: The role of symmetry and related computational aspects
Mauro Ferrero et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The calculation of static polarizabilities of 1-3D periodic compounds.: The implementation in the CRYSTAL code
Mauro Ferrero et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Calculation of the vibration frequencies of α-quartz:: The effect of Hamiltonian and basis set
CM Zicovich-Wilson et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
A new nonlinear optical crystal-BaAlBO3F2(BABF)
ZG Hu et al.
JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS (2002)
Synthesis and crystal structure of BaZn(CO3)F2;: revision of the structure of BaMn(CO3)F2
A Ben Ali et al.
SOLID STATE SCIENCES (2002)