Theoretical studies of structure, ground state vibrations and force field of methyldiborane

1996 ◽  
Vol 384 (2-3) ◽  
pp. 203-214 ◽  
Author(s):  
Amrendra Vijay ◽  
D.N. Sathyanarayana
Keyword(s):  
Force Field ◽  
Ground State ◽  
Theoretical Studies

REVIEW ON THEORETICAL STUDIES OF SUPERHEAVY NUCLEI

2006 ◽  
Vol 15 (07) ◽  
pp. 1587-1599 ◽  
Author(s):  
ZHONGZHOU REN ◽  
DINGHAN CHEN ◽  
CHANG XU
Keyword(s):  
Ground State ◽  
Large Mass ◽  
Mass Region ◽  
Superheavy Nuclei ◽  
Theoretical Studies ◽  
Shape Coexistence ◽  
Good Test ◽  
Α Decay ◽  
The Stability ◽  
Theoretical Results

Superheavy elements have provided a good test of the validity of both nuclear structure models and nuclear decay models in a large mass region. We firstly review the recent progress on theoretical studies of superheavy nuclei. Emphasis is placed on the structure and decay of superheavy nuclei. Then theoretical results of odd-odd nuclei with Z = 109 - 115 are presented and discussed. It is clearly demonstrated that there is shape coexistence for the ground state of many superheavy nuclei from different models and many superheavy nuclei are deformed. In some cases superdeformation can become the ground state of superheavy nuclei and it is important for future studies of superheavy nuclei. This can lead to the existence of low-energy isomers in the superheavy region and it plays an important role for the stability of superheavy nuclei. As α-decay and spontaneous fission plays a crucial role for identifications of new elements, we also review some typical models of α-decay half-lives and spontaneous fissions half-lives. Some new views on superheavy nuclei are presented.

Are Tetra[gold(I)]phosphonium Cations [(LAu)4P]+ Non-obedient to the LeBel-van’t Hoff Rule?

2008 ◽  
Vol 63 (7) ◽  
pp. 853-859 ◽  
Author(s):  
Hubert Schmidbaur
Keyword(s):  
Ground State ◽  
Central Element ◽  
Theoretical Studies ◽  
Tetrahedral Structure ◽  
Pyramidal Structure ◽  
Onium Salts ◽  
Central Elements ◽  
Aurophilic Interactions ◽  
Molecular And Electronic Structure ◽  
Phosphonium Cations

Recent theoretical studies of the molecular and electronic structure of tetra[(phosphine)gold(I)]- phosphonium cations, [(H3PAu)4P]+, gave contradictory results favoring either a classical tetrahedral or a unique square-pyramidal structure of the PAu4 unit. A tetrahedral structure had previously been confirmed for the corresponding ammonium cations [(Ph3PAu)4N]+, while a square-pyramidal structure was discovered for the corresponding arsonium cations [(Ph3PAu)4As]+, but there is as yet no unequivocal experimental evidence for the structure of phosphonium cations like [(Ph3PAu)4P]+ in an innocent environment. - In this account the structural chemistry of this class of onium salts and related species is reviewed. The data accumulated to date provide virtually compelling evidence that the phosphonium cations should have a ground state with a square pyramidal PAu4 core unit, provided that no external constraints are imposed. For large central elements (P, As), aurophilic interactions appear to drive the reorganization from tetrahedral to square-pyramidal skeletons in which a maximum number of short Au---Au contacts can be maintained. For the small central element N, similar interactions are already realized in the tetrahedral structure.

The harmonic force field and ground-state average structure of allene

1977 ◽  
Vol 65 (3) ◽  
pp. 366-378 ◽  
Author(s):  
F. Hegelund ◽  
J.L. Duncan ◽  
D.C. McKean
Keyword(s):  
Force Field ◽  
Ground State ◽  
Harmonic Force ◽  
Average Structure ◽  
State Average

Complete harmonic force field for benzene ground state in‐plane vibrations

1985 ◽  
Vol 83 (11) ◽  
pp. 6047-6048 ◽  
Author(s):  
Ali G. Ozkabak ◽  
Lionel Goodman ◽  
Surya N. Thakur ◽  
Karsten Krogh‐Jespersen
Keyword(s):  
Force Field ◽  
Ground State ◽  
Harmonic Force

scholarly journals Experimental and theoretical studies of the reactions of ground-state sulfur atoms with hydrogen and deuterium

2017 ◽  
Vol 147 (13) ◽  
pp. 134302 ◽  
Author(s):  
Kristopher M. Thompson ◽  
Yide Gao ◽  
Paul Marshall ◽  
Han Wang ◽  
Linsen Zhou ◽  
...  
Keyword(s):  
Ground State ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies
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