A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au)

Exploring the Nature of Silicon-Noble Gas Bonds in H3SiNgNSi and HSiNgNSi Compounds (Ng = Xe, Rn)

(2015) Sudip Pan et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Comparative Study on the Noble-Gas Binding Ability of BeX Clusters (X = SO4, CO3, O)

(2015) Ranajit Saha et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the stability of noble gas bound 1-tris(pyrazolyl)borate beryllium and magnesium complexes

(2015) Sudip Pan et al.   NEW JOURNAL OF CHEMISTRY

Metastable behavior of noble gas inserted tin and lead fluorides

(2015) Sudip Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Movement of Ng 2 molecules confined in a C 60 cage: An ab initio molecular dynamics study

(2014) Munmun Khatua et al.   CHEMICAL PHYSICS LETTERS

Ab Initio Study on the Stability of NgnBe2N2, NgnBe3N2and NgBeSiN2Clusters

(2014) Sudip Pan et al.   CHEMPHYSCHEM

Stability of Noble-Gas-Bound SiH3+Clusters

(2014) Sudip Pan et al.   CHEMPHYSCHEM

Confinement induced binding of noble gas atoms

(2014) Munmun Khatua et al.   JOURNAL OF CHEMICAL PHYSICS

Experimental and Theoretical Studies of the Infrared Spectra and Bonding Properties of NgBeCO3 and a Comparison with NgBeO (Ng = He, Ne, Ar, Kr, Xe)

(2014) Qingnan Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Prediction of Noble Gas Inserted Thioformyl Cations: HNgCS+ (Ng = He, Ne, Ar, Kr, and Xe)

(2014) Ayan Ghosh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Noble Gas Monoxides Stabilized in a Dipolar Cavity: A Theoretical Study

(2014) Paweł Szarek et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Complexes of XeHXe+ with Simple Ligands: A Theoretical Investigation on (XeHXe+)L (L = N2, CO, H2O, NH3)

(2014) Stefano Borocci et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2

(2014) John R. DeBackere et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

C5Li7+and O2Li5+as Noble-Gas-Trapping Agents

(2013) Sudip Pan et al.   CHEMISTRY-A EUROPEAN JOURNAL

Structure and Stability of (NG)nCN3Be3+Clusters and Comparison with (NG)BeY0/+

(2013) Sudip Pan et al.   CHEMPHYSCHEM

Photolabile xenon hydrides: A case study of HXeSH and HXeH

(2013) Sergey V. Ryazantsev et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Prediction of XRgCO+ Ions (X = F, Cl, and Rg = Ar, Kr, Xe)

(2013) Debashree Manna et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Prediction of Rare Gas Containing Hydride Cations: HRgBF+ (Rg = He, Ar, Kr, and Xe)

(2013) Abhishek Sirohiwal et al.   JOURNAL OF PHYSICAL CHEMISTRY A

In Quest of Strong Be–Ng Bonds among the Neutral Ng–Be Complexes

(2013) Sudip Pan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Validity of the Maximum Hardness Principle and the Minimum Electrophilicity Principle during Chemical Reactions

(2013) Sudip Pan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

[H(OXeF2)n][AsF6] and [FXeII(OXeIVF2)n][AsF6] (n = 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F3Xe---FH][Sb2F11] and [H5F4][SbF6]·2[F3Xe---FH][Sb2F11]

(2013) David S. Brock et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Attractive Xe–Li interaction in Li-decorated clusters

(2013) Sudip Pan et al.   Computational and Theoretical Chemistry

Investigation of Gold Fluorides and Noble Gas Complexes by Matrix-Isolation Spectroscopy and Quantum-Chemical Calculations

(2012) Xuefeng Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Matrix Infrared Spectroscopy and Quantum-Chemical Calculations for the Coinage-Metal Fluorides: Comparisons of ArAuF, NeAuF, and Molecules MF2and MF3

(2012) Xuefeng Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

On the Covalent Character of Rare Gas Bonding Interactions: A New Kind of Weak Interaction

(2012) Wenli Zou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Neutral noble gas compounds exhibiting a Xe–Xe bond: structure, stability and bonding situation

(2012) Israel Fernández et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A metastable He–O bond inside a ferroelectric molecular cavity: (HeO)(LiF)2

(2012) Wojciech Grochala   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Xenon-Nitrogen Chemistry: Gas-Phase Generation and Theoretical Investigation of the Xenon-Difluoronitrenium Ion F2NXe+

(2011) Lorenza Operti et al.   CHEMISTRY-A EUROPEAN JOURNAL

Freezing in Resonance Structures for Better Packing: XeF2Becomes (XeF+)(F−) at Large Compression

(2011) Dominik Kurzydłowski et al.   INORGANIC CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

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

A Raman spectroscopic study of the XeOF4/XeF2 system and the X-ray crystal structure of α-XeOF4·XeF2

(2011) Michael J. Hughes et al.   JOURNAL OF FLUORINE CHEMISTRY

The weak covalent bond in NgAuF (Ng=Ar, Kr, Xe): A challenge for subsystem density functional theory

(2010) S. Maya Beyhan et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Metal−Metal and Metal−Ligand Bonding at a QTAIM Catastrophe: A Combined Experimental and Theoretical Charge Density Study on the Alkylidyne Cluster Fe3(μ-H)(μ-COMe)(CO)10

(2010) Louis J. Farrugia et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Investigating the Nature of Noble Gas−Copper Bonds by the Quantum Theory of Atoms in Molecules

(2010) Eduardo F. F. Rodrigues et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Geometries and Bond Energies of the He−MX, Ne−MX, and Ar−MX (M = Cu, Ag, Au; X = F, Cl) Complexes

(2010) Corey J. Evans et al.   JOURNAL OF PHYSICAL CHEMISTRY A

F3Ge−Xe+: A Xenon−Germanium Molecular Species

(2010) Paola Antoniotti et al.   Journal of Physical Chemistry Letters

Theoretical study of RgMF (Rg=He, Ne; M=Cu, Ag, Au): Bonded structures of helium

(2009) Wenli Zou et al.   CHEMICAL PHYSICS LETTERS

Lifetimes of compounds made of noble-gas atoms with water

(2009) Ehud Tsivion et al.   CHEMICAL PHYSICS LETTERS

Theoretical study of noble-gas containing metal halides

(2009) Chun-Hao Mou et al.   JOURNAL OF CHEMICAL PHYSICS

Direct visualization of the H–Xe bond in xenon hydrides: Xenon isotopic shift in the IR spectra

(2009) Vladimir I. Feldman et al.   JOURNAL OF CHEMICAL PHYSICS

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

(2009) Mariusz P. Mitoraj et al.   Journal of Chemical Theory and Computation

Generation of the ArCF22+ Dication

(2009) Jessica F. Lockyear et al.   Journal of Physical Chemistry Letters

Detection of Free Monomeric Silver(I) and Gold(I) Cyanides, AgCN and AuCN: Microwave Spectra and Molecular Structure

(2009) Toshiaki Okabayashi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Donor Acceptor Complexes of Noble Gases

(2009) Leonie Anna Mück et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical prediction of the noble gas complexes HeAuF and NeAuF

(2009) Rong Chen et al.   Science in China. Series B, Chemistry

Noble-Gas Hydrides: New Chemistry at Low Temperatures

(2008) Leonid Khriachtchev et al.   ACCOUNTS OF CHEMICAL RESEARCH

Is it Possible To Synthesize a Neutral Noble Gas Compound Containing a NgNg Bond? A Theoretical Study of HNgNgF (Ng=Ar, Kr, Xe)

(2008) C. Óscar C. Jiménez-Halla et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Implications of Symmetry of the External Potential on Bond Paths

(2008) Erick Cerpa et al.   CHEMISTRY-A EUROPEAN JOURNAL

Influence of Endohedral Confinement on the Electronic Interaction between He atoms: A He2@C20H20Case Study

(2008) Erick Cerpa et al.   CHEMISTRY-A EUROPEAN JOURNAL

Covalent radii revisited

(2008) Beatriz Cordero et al.   DALTON TRANSACTIONS

Prediction of metastable metal-rare gas fluorides: FMRgF (M=Be and Mg; Rg=Ar, Kr and Xe)

(2008) T. Jayasekharan et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical prediction of HRgCO+ ion (Rg=He, Ne, Ar, Kr, and Xe)

(2008) T. Jayasekharan et al.   JOURNAL OF CHEMICAL PHYSICS

Applications of natural orbitals for chemical valence in a description of bonding in conjugated molecules

(2008) Mariusz Mitoraj et al.   JOURNAL OF MOLECULAR MODELING

Bonding analysis for NgMOH (Ng=Ar, Kr and Xe; M=Cu and Ag)

(2008) Ping-Xia Zhang et al.   MOLECULAR PHYSICS

Bonding analysis for NgAuOH (Ng = Kr, Xe)

(2007) Ping Xia Zhang et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The Chemical Bond between Au(I) and the Noble Gases. Comparative Study of NgAuF and NgAu+(Ng = Ar, Kr, Xe) by Density Functional and Coupled Cluster Methods

(2007) Leonardo Belpassi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY