Zintl based superatom P7M2 (M=Li, Na, K & Be, Mg, Ca) clusters with excellent second and third-order nonlinear optical response

Oxacarbon superalkali C3X3Y3 (X = O, S and Y = Li, Na, K) clusters as excess electron compounds for remarkable static and dynamic NLO response

(2021) Atazaz Ahsin et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Adamanzane based alkaline earthides with excellent nonlinear optical response and ultraviolet transparency

(2020) Annum Ahsan et al.   OPTICS AND LASER TECHNOLOGY

Alkaline earth metals serving as source of excess electron for alkaline earth metals to impart large second and third order nonlinear optical response; a DFT study

(2020) Atazaz Ahsin et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

On the Possibility of Using the Jellium Model as a Guide To Design Bimetallic Superalkali Cations

(2019) Wei‐Ming Sun et al.   CHEMISTRY-A EUROPEAN JOURNAL

Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: A DFT study

(2019) Faizan Ullah et al.   APPLIED SURFACE SCIENCE

Theoretical study on design of novel superalkalis doped graphdiyne: A new donor–acceptor (D-π-A) strategy for enhancing NLO response

(2019) Kiran Shehzadi et al.   APPLIED SURFACE SCIENCE

Nitrate nonlinear optical crystals: A survey on structure-performance relationships

(2019) Xiaomeng Liu et al.   COORDINATION CHEMISTRY REVIEWS

Structural characterization, quantum chemical calculations and Hirshfeld surface analysis of a new third order harmonic organic crystal: 2-Amino-4-methylpyridinium benzilate

(2019) S. Madhankumar et al.   JOURNAL OF MOLECULAR STRUCTURE

Significant nonlinear optical response of alkaline earth metals doped beryllium and magnesium oxide nanocages

(2019) Naveen Kosar et al.   MATERIALS CHEMISTRY AND PHYSICS

Doping superalkali on Zn12O12 nanocage constitutes a superior approach to fabricate stable and high-performance nonlinear optical materials

(2019) Naveen Kosar et al.   OPTICS AND LASER TECHNOLOGY

Alkaline earth metal decorated phosphide nanoclusters for potential applications as high performance NLO materials; A first principle study

(2019) Faizan Ullah et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Pb2 BO3 I: A Borate Iodide with the Largest Second-Harmonic Generation (SHG) Response in the KBe2 BO3 F2 (KBBF) Family of Nonlinear Optical (NLO) Materials

(2018) Hongwei Yu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synthetic strategies, diverse structures and tuneable properties of polyoxo-titanium clusters

(2018) Wei-Hui Fang et al.   CHEMICAL SOCIETY REVIEWS

Deltahedral Organo-Zintl Superhalogens

(2018) G Naaresh Reddy et al.   CHEMISTRY-A EUROPEAN JOURNAL

Superatom Compounds under Oriented External Electric Fields: Simultaneously Enhanced Bond Energies and Nonlinear Optical Responses

(2018) Wei-Ming Sun et al.   Journal of Physical Chemistry C

Remarkable nonlinear optical response of alkali metal doped aluminum phosphide and boron phosphide nanoclusters

(2018) Sajida Munsif et al.   JOURNAL OF MOLECULAR LIQUIDS

Superatom chemistry: promising properties of near-spherical noble metal clusters

(2018) Emil Roduner   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Zintl superalkalis as building blocks of supersalts

(2018) G. Naaresh Reddy et al.   JOURNAL OF MOLECULAR MODELING

The important role of superalkalis on the static first hyperpolarizabilities of new electrides: Theoretical investigation on superalkali-doped hexamethylenetetramine (HMT)

(2017) Na Hou et al.   SYNTHETIC METALS

Efficient Third Harmonic Generation in a Metal–Organic Framework

(2016) Min Liu et al.   CHEMISTRY OF MATERIALS

A theoretical study on superalkali-doped nanocages: unique inorganic electrides with high stability, deep-ultraviolet transparency, and a considerable nonlinear optical response

(2016) Wei-Ming Sun et al.   DALTON TRANSACTIONS

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

(2016) Hui-Min He et al.   DALTON TRANSACTIONS

On the feasibility of designing hyperalkali cations using superalkali clusters as ligands

(2016) Wei-Ming Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Organo–Zintl Clusters [P7R4]: A New Class of Superalkalis

(2016) Santanab Giri et al.   Journal of Physical Chemistry Letters

Evolution of structure, stability, and nonlinear optical properties of the heterodinuclear CNLin (n=1–10) clusters

(2015) Dan Hou et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Nonlinear optical behavior of Li n F (n = 2–5) superalkali clusters

(2015) Ambrish Kumar Srivastava et al.   JOURNAL OF MOLECULAR MODELING

Role of Excess Electrons in Nonlinear Optical Response

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

Special and General Superatoms

(2014) Zhixun Luo et al.   ACCOUNTS OF CHEMICAL RESEARCH

On the Potential Application of Superalkali Clusters in Designing Novel Alkalides with Large Nonlinear Optical Properties

(2014) Wei-Ming Sun et al.   INORGANIC CHEMISTRY

Superalkalis and Superhalogens As Building Blocks of Supersalts

(2014) Santanab Giri et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Concentration dependence of the band gaps of phosphorus and sulfur doped graphene

(2012) Pablo A. Denis   COMPUTATIONAL MATERIALS SCIENCE

Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives

(2012) Katsuki Okuno et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

A (Nearly) Universally Applicable Method for Modeling Noncovalent Interactions Using B3LYP

(2012) Edmanuel Torres et al.   Journal of Physical Chemistry Letters

Cluster Structure and Reactions: Gaining Insights into Catalytic Processes

(2011) A. W. Castleman   CATALYSIS LETTERS

Structural properties and nonlinear optical responses of superatom compounds BF4-M (M = Li, FLi2, OLi3, NLi4)

(2011) Hui Yang et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Enhanced magnetic moments of alkali metal coated Sc clusters: New magnetic superatoms

(2010) Kalpataru Pradhan et al.   JOURNAL OF CHEMICAL PHYSICS

Synthesis and high thermoelectric efficiency of Zintl phase YbCd2−xZnxSb2

(2009) Xiao-Jun Wang et al.   APPLIED PHYSICS LETTERS

On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional

(2009) Peter A. Limacher et al.   JOURNAL OF CHEMICAL PHYSICS