Structures and relative stabilities of the novel sandwich complexes related to pentalene: a density functional study

Relative Stabilities

Density functional study of potential energy surfaces and relative stabilities of halonium cations of ethylene and cyclopentenes

Tetrahedron ◽

10.1016/s0040-4020(02)00617-8 ◽

2002 ◽

Vol 58 (31) ◽

pp. 6171-6178 ◽

Cited By ~ 14

Author(s):

Vasilios I Teberekidis ◽

Michael P Sigalas

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Density Functional ◽

Functional Study ◽

Relative Stabilities ◽

Energy Surfaces

Density functional study on zerovalent lanthanide bis(arene)-sandwich complexes

Theoretical Chemistry Accounts ◽

10.1007/s002140050481 ◽

1999 ◽

Vol 102 (1-6) ◽

pp. 121-126 ◽

Cited By ~ 12

Author(s):

Hai-gang Lu ◽

Le-min Li

Keyword(s):

Density Functional ◽

Functional Study ◽

Sandwich Complexes ◽

Density functional study of isoguanine tetrad and pentad sandwich complexes with alkali metal ions

Journal of Molecular Modeling ◽

10.1007/s00894-006-0148-5 ◽

2006 ◽

Vol 13 (2) ◽

pp. 335-345 ◽

Cited By ~ 12

Author(s):

Michael Meyer ◽

Thomas Steinke ◽

Jürgen Sühnel

Keyword(s):

Alkali Metal ◽

Metal Ions ◽

Density Functional ◽

Functional Study ◽

Alkali Metal Ions ◽

Sandwich Complexes ◽

On the Relative Stabilities of Singlet and Triplet Oxyallyl and Cyclopropanone: A Density Functional Study

European Journal of Organic Chemistry ◽

10.1002/(sici)1099-0690(199912)1999:12<3363::aid-ejoc3363>3.0.co;2-o ◽

1999 ◽

Vol 1999 (12) ◽

pp. 3363-3367 ◽

Cited By ~ 8

Author(s):

B. Andes Hess, Jr. ◽

Lidia Smentek

Keyword(s):

Density Functional ◽

Functional Study ◽

Relative Stabilities

A Density Functional Study of the Optical Spectra and Nonlinear Optical Properties of Heteroleptic Tetrapyrrole Sandwich Complexes: The Porphyrinato−Porphyrazinato−Zirconium(IV) Complex as a Case Study

The Journal of Physical Chemistry A ◽

10.1021/jp9929216 ◽

2000 ◽

Vol 104 (3) ◽

pp. 635-643 ◽

Cited By ~ 47

Author(s):

G. Ricciardi ◽

A. Rosa ◽

S. J. A. van Gisbergen ◽

E. J. Baerends

Keyword(s):

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Optical Spectra ◽

Nonlinear Optical Properties ◽

Functional Study ◽

Sandwich Complexes ◽

Cyclotrimerization Reactions Catalyzed by Rhodium(I) Half-Sandwich Complexes: A Mechanistic Density Functional Study

Organometallics ◽

10.1021/om7004222 ◽

2007 ◽

Vol 26 (15) ◽

pp. 3816-3830 ◽

Cited By ~ 57

Author(s):

Laura Orian ◽

Joost N. P. van Stralen ◽

F. Matthias Bickelhaupt

Keyword(s):

Density Functional ◽

Functional Study ◽

Sandwich Complexes ◽

Half Sandwich

Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

3D Elements