标题
The explicit examination of the magnetic states of electrides
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 39, Pages 27326-27335
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-09-14
DOI
10.1039/c6cp05345a
参考文献
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。- The structural, electronic, elastic and thermodynamics properties of 2D transition-metal electride Y2C via first-principles calculations
- (2016) Yongming He JOURNAL OF ALLOYS AND COMPOUNDS
- Water Durable Electride Y5Si3: Electronic Structure and Catalytic Activity for Ammonia Synthesis
- (2016) Yangfan Lu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Electron anions and the glass transition temperature
- (2016) Lewis E. Johnson et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- On the existence and characterization of molecular electrides
- (2015) Verònica Postils et al. CHEMICAL COMMUNICATIONS
- Counterintuitive electron localisation from density-functional theory with polarisable solvent models
- (2015) Stephen G. Dale et al. JOURNAL OF CHEMICAL PHYSICS
- Second derivatives for approximate spin projection methods
- (2015) Lee M. Thompson et al. JOURNAL OF CHEMICAL PHYSICS
- Quantifying Electron Delocalization in Electrides
- (2015) Benjamin G. Janesko et al. Journal of Chemical Theory and Computation
- Electron Confinement in Channel Spaces for One-Dimensional Electride
- (2015) Yaoqing Zhang et al. Journal of Physical Chemistry Letters
- Role of Excess Electrons in Nonlinear Optical Response
- (2015) Rong-Lin Zhong et al. Journal of Physical Chemistry Letters
- High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms
- (2015) Mao-sheng Miao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Quantifying solvated electrons' delocalization
- (2015) Benjamin G. Janesko et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- On the electrostatic nature of electrides
- (2015) Anmol Kumar et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Two dimensional inorganic electride-promoted electron transfer efficiency in transfer hydrogenation of alkynes and alkenes
- (2015) Ye Ji Kim et al. Chemical Science
- Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis
- (2015) Masaaki Kitano et al. Nature Communications
- Electronic, Dielectric, and Plasmonic Properties of Two-Dimensional Electride Materials X2N (X=Ca, Sr): A First-Principles Study
- (2015) Shan Guan et al. Scientific Reports
- High Pressure Electrides: A Predictive Chemical and Physical Theory
- (2014) Mao-Sheng Miao et al. ACCOUNTS OF CHEMICAL RESEARCH
- The scalable pinacol coupling reaction utilizing the inorganic electride [Ca2N]+·e− as an electron donor
- (2014) Ye Ji Kim et al. CHEMICAL COMMUNICATIONS
- Two-Dimensional Transition-Metal Electride Y2C
- (2014) Xiao Zhang et al. CHEMISTRY OF MATERIALS
- On the Potential Application of Superalkali Clusters in Designing Novel Alkalides with Large Nonlinear Optical Properties
- (2014) Wei-Ming Sun et al. INORGANIC CHEMISTRY
- How far do electrons delocalize?
- (2014) Benjamin G. Janesko et al. JOURNAL OF CHEMICAL PHYSICS
- Spin projection with double hybrid density functional theory
- (2014) Lee M. Thompson et al. JOURNAL OF CHEMICAL PHYSICS
- Novel Li3X3 supersalts (X = F, Cl, Br & I) and their alkalide characteristics
- (2014) Ambrish Kumar Srivastava et al. NEW JOURNAL OF CHEMISTRY
- Density-functional description of electrides
- (2014) Stephen G. Dale et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Hydrotrifluoromethylation and iodotrifluoromethylation of alkenes and alkynes using an inorganic electride as a radical generator
- (2014) Sungkyu Choi et al. Nature Communications
- Critic2: A program for real-space analysis of quantum chemical interactions in solids
- (2013) A. Otero-de-la-Roza et al. COMPUTER PHYSICS COMMUNICATIONS
- Theoretical study on superalkali (Li3) in ammonia: novel alkalides with considerably large first hyperpolarizabilities
- (2013) Wei-Ming Sun et al. DALTON TRANSACTIONS
- Extreme density-driven delocalization error for a model solvated-electron system
- (2013) Erin R. Johnson et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: An efficient analytic gradient theory for approximate spin projection methods
- (2013) Hrant P. Hratchian JOURNAL OF CHEMICAL PHYSICS
- Communication: Calibration of a strong-correlation density functional on transition-metal atoms
- (2013) Axel D. Becke JOURNAL OF CHEMICAL PHYSICS
- Many-body dispersion interactions from the exchange-hole dipole moment model
- (2013) A. Otero-de-la-Roza et al. JOURNAL OF CHEMICAL PHYSICS
- Dicalcium nitride as a two-dimensional electride with an anionic electron layer
- (2013) Kimoon Lee et al. NATURE
- Activation and splitting of carbon dioxide on the surface of an inorganic electride material
- (2013) Yoshitake Toda et al. Nature Communications
- The structure and large nonlinear optical properties of a novel octupolar electride Li@36Adz
- (2013) Zhong-Jun Zhou et al. Computational and Theoretical Chemistry
- Application of 12CaO•7Al2O3 electride as a new electrode for superoxide ion generation and hydroxylation of an arylboronic acid
- (2012) Jiang Li et al. ELECTROCHEMISTRY COMMUNICATIONS
- Unraveling the Complex Nature of the Hydrated Electron
- (2012) Frank Uhlig et al. Journal of Physical Chemistry Letters
- Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store
- (2012) Masaaki Kitano et al. Nature Chemistry
- Revealing non-covalent interactions in solids: NCI plots revisited
- (2012) Alberto Otero-de-la-Roza et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Accurate and efficient algorithm for Bader charge integration
- (2011) Min Yu et al. JOURNAL OF CHEMICAL PHYSICS
- NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
- (2011) Julia Contreras-García et al. Journal of Chemical Theory and Computation
- Interelectron magnetic coupling in electrides with one-dimensional cavity-channel geometry
- (2011) Ilya G. Ryabinkin et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Secondary electron emission and glow discharge properties of 12CaO·7Al2O3electride for fluorescent lamp applications
- (2011) Satoru Watanabe et al. SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
- The complexant shape effect on first (hyper)polarizability of alkalides Li+(NH2CH3)4M− (M = Li, Na, and K)
- (2010) Hong-Liang Xu et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Revealing Noncovalent Interactions
- (2010) Erin R. Johnson et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Push–pull electron effects of the complexant in a Li atom doped molecule with electride character: a new strategy to enhance the first hyperpolarizability
- (2010) Zhen-Bo Liu et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Two electrons in a cylindrical box: An exact configuration-interaction solution
- (2010) Ilya G. Ryabinkin et al. PHYSICAL REVIEW A
- Solution of the Schrödinger equation for two electrons in axially symmetric cavities
- (2010) Ilya G. Ryabinkin et al. PHYSICAL REVIEW A
- Three-propeller-blade-shaped electride: remarkable alkali-metal-doped effect on the first hyperpolarizability
- (2010) Hong-Liang Xu et al. THEORETICAL CHEMISTRY ACCOUNTS
- A Dependence on the Petal Number of the Static and Dynamic First Hyperpolarizability for Electride Molecules: Many-Petal-Shaped Li-Doped Cyclic Polyamines
- (2009) Zong-Jun Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Low Threshold Voltage and Carrier Injection Properties of Inverted Organic Light-Emitting Diodes with [Ca24Al28O64]4+(4e−) Cathode and Cu2−xSe Anode
- (2009) Hiroshi Yanagi et al. Journal of Physical Chemistry C
- Quantum Mechanical Design and Structure of the Li@B10H14Basket with a Remarkably Enhanced Electro-Optical Response
- (2009) Shabbir Muhammad et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Critic: a new program for the topological analysis of solid-state electron densities
- (2008) A. Otero-de-la-Roza et al. COMPUTER PHYSICS COMMUNICATIONS
- Fractional spins and static correlation error in density functional theory
- (2008) Aron J. Cohen et al. JOURNAL OF CHEMICAL PHYSICS
- Lithium Salt Electride with an Excess Electron PairA Class of Nonlinear Optical Molecules for Extraordinary First Hyperpolarizability
- (2008) Fang Ma et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Structures and Considerable Static First Hyperpolarizabilities: New Organic Alkalides (M+@n6adz)M‘-(M, M‘ = Li, Na, K;n= 2, 3) with Cation Inside and Anion Outside of the Cage Complexants
- (2008) Fang-Fang Wang et al. JOURNAL OF PHYSICAL CHEMISTRY B
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreDiscover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversation