[图书][B] Noble gas chemistry: structure, bonding, and gas-phase chemistry
F Grandinetti - 2018 - books.google.com
Authored by one of the world's leading experts in the chemistry of lighter noble gases, this
comprehensive monograph fills the need for an up-to-date review of the diverse …
comprehensive monograph fills the need for an up-to-date review of the diverse …
Highly accurate CCSDT (Q)/CBS reaction barrier heights for a diverse set of transition structures: Basis set convergence and cost-effective approaches for estimating …
A Karton - The Journal of Physical Chemistry A, 2019 - ACS Publications
The ability to accurately calculate reaction barrier heights is of central importance to many
areas of chemistry. We report an extensive study examining the basis set convergence of …
areas of chemistry. We report an extensive study examining the basis set convergence of …
Chemical Aristocracy: He3 Dication and Analogous Noble-Gas-Exclusive Covalent Compounds
Herein, we predict the first set of covalently bonded triatomic molecular compounds
composed exclusively of noble gases. Using a combination of double-hybrid DFT, CCSD …
composed exclusively of noble gases. Using a combination of double-hybrid DFT, CCSD …
Prediction of donor–acceptor-type novel noble gas complexes in the triplet electronic state
Closed-shell noble gas (Ng) compounds in the singlet electronic state have been
extensively studied in the past two decades after the revolutionary discovery of 1HArF …
extensively studied in the past two decades after the revolutionary discovery of 1HArF …
HNgBeF3 (Ng = Ar‐Rn): Superhalogen‐supported noble gas insertion compounds
Ab initio and density functional theory‐based calculations are performed to study the
structure, stability, and nature of bonding of superhalogen‐supported noble gas (Ng) …
structure, stability, and nature of bonding of superhalogen‐supported noble gas (Ng) …
Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3]3– and [X4(XeO3)4]4– (X = Cl or Br)
JT Goettel, VG Haensch… - Journal of the American …, 2017 - ACS Publications
The number of isolable compounds which contain different noble-gas–element bonds is
limited for xenon and even more so for krypton. Examples of Xe–Cl bonds are rare, and prior …
limited for xenon and even more so for krypton. Examples of Xe–Cl bonds are rare, and prior …
Noble gas hydrides in the triplet state: HNgCCO+(Ng= He, Ne, Ar, Kr, and Xe)
Motivated by the very recent investigations of neutral noble gas compounds in the open-
shell configuration, we explored a new series of noble gas hydrides in the triplet state. The …
shell configuration, we explored a new series of noble gas hydrides in the triplet state. The …
Existence of noble gas-inserted phosphorus fluorides: FNgPF 2 and FNgPF 4 with Ng–P covalent bond (Ng= Ar, Kr, Xe and Rn)
The scarce literature on noble gas (Ng)–phosphorous chemical bonding and our recent
theoretical prediction of the FNgP molecule motivate us to explore a unique novel class of …
theoretical prediction of the FNgP molecule motivate us to explore a unique novel class of …
Theoretical prediction of noble gas inserted halocarbenes: FNgCX (Ng= Kr, and Xe; X= F, Cl, Br, and I)
A new series of neutral noble gas inserted compounds involving halocarbenes, mainly,
FNgCX (Ng= Kr, and Xe; X= F, Cl, Br, and I) has been predicted through various ab initio …
FNgCX (Ng= Kr, and Xe; X= F, Cl, Br, and I) has been predicted through various ab initio …
Theoretical prediction of FNgM3–kHk (Ng = Ar, Kr, Xe, and Rn; M = Cu, Ag and Au; k = 0–2) molecules
Recent finding on the unprecedented enhancement of noble gas-noble metal bonding
strength on hydrogen doping in van der Waals type cationic complexes motivates us to …
strength on hydrogen doping in van der Waals type cationic complexes motivates us to …