Oriented External Electric Field Modulated Superhalogen Characteristic and Photoelectric Properties of Al4N2 Cluster: A Density Functional Theory Study

Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine: from an Asynchronous Plateau Transition State to a Synchronous or Stepwise Mechanism

(2022) Antoine Geoffroy-Neveux et al.   JOURNAL OF PHYSICAL CHEMISTRY A

n-doped inorganic molecular clusters as a new type of hole transport material for efficient organic solar cells

(2021) Qian Kang et al.   Joule

DFT study of superhalogen (AlF4) doped boron nitride for tuning their nonlinear optical properties

(2021) Asmat Ullah Khan et al.   OPTIK

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

(2021) Atazaz Ahsin et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

A Preorganized Electric Field Leads to Minimal Geometrical Reorientation in the Catalytic Reaction of Ketosteroid Isomerase

(2020) Yufan Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response

(2020) Naveen Kosar et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Electric-Field Mediated Chemistry: Uncovering and Exploiting the Potential of (Oriented) Electric Fields to Exert Chemical Catalysis and Reaction Control

(2020) Sason Shaik et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electric-Field-Induced Effects on the Dipole Moment and Vibrational Modes of the Centrosymmetric Indigo Molecule

(2020) Viviana Mollica Nardo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Coinage metal clusters: From superatom chemistry to genetic materials

(2020) Baoqi Yin et al.   COORDINATION CHEMISTRY REVIEWS

External electric field effects on chemical structure and reactivity

(2019) Thijs Stuyver et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Dehydrogenation of Methane by Partially Oxidized Tungsten Cluster Cations: High Reactivity Comparable to That of Platinum Cluster Cations

(2019) Shinichi Hirabayashi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

(2018) Puru Jena et al.   CHEMICAL REVIEWS

Harnessing electrostatic catalysis in single molecule, electrochemical and chemical systems: a rapidly growing experimental tool box

(2018) Simone Ciampi et al.   CHEMICAL SOCIETY REVIEWS

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

Electrochemical and Electrostatic Cleavage of Alkoxyamines

(2018) Long Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effects of Intense Electric Fields on the Double Proton Transfer in the Watson–Crick Guanine–Cytosine Base Pair

(2018) Alya A. Arabi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Alumina-supported sub-nanometer Pt10 clusters: amorphization and role of the support material in a highly active CO oxidation catalyst

(2017) Chunrong Yin et al.   Journal of Materials Chemistry A

Efficient External Electric Field Manipulated Nonlinear Optical Switches of All-Metal Electride Molecules with Infrared Transparency: Nonbonding Electron Transfer Forms an Excess Electron Lone Pair

(2016) Hui-Min He et al.   Journal of Physical Chemistry C

Quasi-Chalcogen Characteristics of Al12Be: A New Member of the Three-Dimensional Periodic Table

(2016) Wei-Ming Sun et al.   Journal of Physical Chemistry C

A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase

(2016) Yufan Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oriented electric fields as future smart reagents in chemistry

(2016) Sason Shaik et al.   Nature Chemistry

Mimicking the magnetic properties of rare earth elements using superatoms

(2015) Shi-Bo Cheng et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Superalkalis and Superhalogens As Building Blocks of Supersalts

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

The chemical bond in external electric fields: Energies, geometries, and vibrational Stark shifts of diatomic molecules

(2013) Shahin Sowlati-Hashjin et al.   JOURNAL OF CHEMICAL PHYSICS

Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair

(2012) José P. Cerón-Carrasco et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Relationships between interaction energy, intermolecular distance and electron density properties in hydrogen bonded complexes under external electric fields

(2011) I. Mata et al.   CHEMICAL PHYSICS LETTERS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Cluster-Assembled Materials

(2009) Shelley A. Claridge et al.   ACS Nano

Effect of an external electric field on the dissociation energy and the electron density properties: The case of the hydrogen bonded dimer HF⋯HF

(2009) Ignasi Mata et al.   JOURNAL OF CHEMICAL PHYSICS

AlN as an actuation material for MEMS applications

(2007) Alexandru Andrei et al.   SENSORS AND ACTUATORS A-PHYSICAL