All-metal electride molecules CuAg@Ca7M (M = Be, Mg, and Ca) with multi-excess electrons and all-metal polyanions: molecular structures and bonding modes as well as large infrared nonlinear optical responses

Linking Deltahedral Zintl Clusters with Conjugated Organic Building Blocks: Synthesis and Characterization of the Zintl Triad [R-Ge9-CHCHCHCH-Ge9-R]4−

(2015) Manuel M. Bentlohner et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

SnGa2GeS6: synthesis, structure, linear and nonlinear optical properties

(2015) Zuohong Lin et al.   DALTON TRANSACTIONS

A new strategy for simultaneously enhancing nonlinear optical response and electron stability in novel cup–saucer+–cage−-shaped sandwich electride molecules with an excess electron protected inside the cage

(2015) Jia-Jun Wang et al.   DALTON TRANSACTIONS

Synthesis and characterization of a new mid-infrared transparent compound: acentric Ba5In4Te4S7

(2015) De-Ming Tan et al.   DALTON TRANSACTIONS

Theoretical Predictions of Novel Superconducting Phases of BaGe3 Stable at Atmospheric and High Pressures

(2015) Eva Zurek et al.   INORGANIC CHEMISTRY

A dual-model fluorescent Zn2+/Cu2+ ions sensor with in-situ detection of S2−/(PO4)− and colorimetric detection of Fe2+ ion

(2015) Arturo Jiménez-Sánchez et al.   INORGANICA CHIMICA ACTA

Ternary arsenides based on platinum–indium and palladium–indium fragments of the Cu3Au-type: Crystal structures and chemical bonding

(2015) Elena Yu. Zakharova et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Role of Excess Electrons in Nonlinear Optical Response

(2015) Rong-Lin Zhong et al.   Journal of Physical Chemistry Letters

A theoretical study on novel alkaline earth-based excess electron compounds: unique alkalides with considerable nonlinear optical responses

(2015) Wei-Ming Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure determination of bound nitrogen-based adducts with copper(ii) acetylacetonato; an EPR, ENDOR and DFT study

(2015) Emma Carter et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Crystal Structure and Chemical Bonding Analysis of BaPtCd2

(2015) Fakhili Gulo et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

PbGa4S7: a wide-gap nonlinear optical material

(2015) Xiaoshuang Li et al.   Journal of Materials Chemistry C

High-Temperature Thermoelectric Properties of the Solid–Solution Zintl Phase Eu11Cd6Sb12–xAsx (x < 3)

(2014) Nasrin Kazem et al.   CHEMISTRY OF MATERIALS

Theoretical Molecular Design of Heteroacenes for Singlet Fission: Tuning the Diradical Character by Modifying π-Conjugation Length and Aromaticity

(2014) Soichi Ito et al.   Journal of Physical Chemistry C

Unusual Manipulative Effects of Spin Multiplicity and Excess Electron Number on the Structure and Nonlinear Optical Response in New Linear and Cyclic Electride Molecules with Multiexcess Electrons

(2014) Hui-Min He et al.   Journal of Physical Chemistry C

Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure

(2013) Zhong-Zhen Luo et al.   CHEMISTRY OF MATERIALS

Doping the Alkali Atom: An Effective Strategy to Improve the Electronic and Nonlinear Optical Properties of the Inorganic Al12N12 Nanocage

(2013) Min Niu et al.   INORGANIC CHEMISTRY

Exact ligand cone angles

(2013) Jenna A. Bilbrey et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

New Acceptor–Bridge–Donor Strategy for Enhancing NLO Response with Long-Range Excess Electron Transfer from the NH2...M/M3O Donor (M = Li, Na, K) to Inside the Electron Hole Cage C20F19 Acceptor through the Unusual σ Chain Bridge (CH2)4

(2013) Yang Bai et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effects of the Cage Unit Size and Number of Cage Units As Well As Bridge Unit on the Second Order Nonlinear Optical Response in Multicage Electride Molecules

(2013) Zhen-Bo Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12

(2013) Hua Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dicalcium nitride as a two-dimensional electride with an anionic electron layer

(2013) Kimoon Lee et al.   NATURE

The structure and large nonlinear optical properties of a novel octupolar electride Li@36Adz

(2013) Zhong-Jun Zhou et al.   Computational and Theoretical Chemistry

Electronic and Vibrational Nonlinear Optical Properties of Five Representative Electrides

(2012) Marc Garcia-Borràs et al.   Journal of Chemical Theory and Computation

The interaction between superalkalis (M3O, M = Na, K) and a C20F20 cage forming superalkali electride salt molecules with excess electrons inside the C20F20 cage: dramatic superalkali effect on the nonlinear optical property

(2012) Jia-Jun Wang et al.   JOURNAL OF MATERIALS CHEMISTRY

Theoretical Study on the Structure and Stabilities of Molecular Clusters of Oxalic Acid with Water

(2012) Kevin H. Weber et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Zintl Ions, Cage Compounds, and Intermetalloid Clusters of Group 14 and Group 15 Elements

(2011) Sandra Scharfe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metal Anions in Metal-Rich Compounds and Polar Intermetallics

(2011) Myung-Hwan Whangbo et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

The Importance of the DFT method on the computation of the second hyperpolarizability of semiconductor clusters of increasing size: A critical analysis on prolate aluminum phosphide clusters

(2011) Panaghiotis Karamanis   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The stability and nonlinear optical properties: Encapsulation of an excess electron compound LiCN⋯Li within boron nitride nanotubes

(2011) Rong-Lin Zhong et al.   JOURNAL OF MATERIALS CHEMISTRY

Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn7Bi7]4– and [Ln@Sn4Bi9]4– (Ln = La, Ce) with Adjustable Magnetic Properties

(2011) Felicitas Lips et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Analysis of Electronic Structures and Chemical Bonding of Metal-rich Compounds. 2. Presence of Dimer (T-T)4-and IsolatedT2-Anions in the Polar Intermetallic Cr5B3-Type CompoundsAE5T3(AE= Ca, Sr;T= Au, Ag, Hg, Cd, Zn)

(2010) Changhoon Lee et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Accurate Thermochemistry for Transition Metal Oxide Clusters

(2009) Shenggang Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Chalcogenide Chemistry in Ionic Liquids: Nonlinear Optical Wave-Mixing Properties of the Double-Cubane Compound [Sb7S8Br2](AlCl4)3

(2009) Qichun Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional theory for transition metals and transition metal chemistry

(2009) Christopher J. Cramer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic Structure Study of the [Ag−Ag]4−, [Au−Au]4−, and [Hg−Hg]2−Zintl Anions in the Intermetallic Compounds Yb3Ag2, Ca5Au4, and Ca3Hg2: Transition Metal Anions As p-Metal Elements

(2008) Jürgen Köhler et al.   CHEMISTRY OF MATERIALS

Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory

(2008) Michael Bühl et al.   Journal of Chemical Theory and Computation

1/∞[ZrPSe6−]: A Soluble Photoluminescent Inorganic Polymer and Strong Second Harmonic Generation Response of Its Alkali Salts

(2008) Santanu Banerjee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Strong Second Harmonic Generation from the Tantalum Thioarsenates A3Ta2AsS11(A= K and Rb)

(2008) Tarun K. Bera et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Late transition metal anions acting as p-metal elements

(2008) Jürgen Köhler et al.   SOLID STATE SCIENCES