Dibromine Monoxide, Br2O, and Bromine Dioxide, OBrO: Spectroscopic Properties, Molecular Structures, and Harmonic Force Fields

Holger S. P. Müller; Charles E. Miller; Edward A. Cohen

doi:10.1002/anie.199621291

Dibromine Monoxide, Br2O, and Bromine Dioxide, OBrO: Spectroscopic Properties, Molecular Structures, and Harmonic Force Fields

Angewandte Chemie International Edition in English ◽

10.1002/anie.199621291 ◽

1996 ◽

Vol 35 (18) ◽

pp. 2129-2131 ◽

Cited By ~ 28

Author(s):

Holger S. P. Müller ◽

Charles E. Miller ◽

Edward A. Cohen

Keyword(s):

Force Fields ◽

Spectroscopic Properties ◽

Molecular Structures ◽

Harmonic Force

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Computational investigation of molecular structures, spectroscopic properties, cholinesterase inhibition and antibacterial activities of triazole Schiff bases endowed metal chelates

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130382 ◽

2021 ◽

Vol 1238 ◽

pp. 130382

Author(s):

Sajjad Hussain Sumrra ◽

Wardha Zafar ◽

Muhammad Luqman Asghar ◽

Fazila Mushtaq ◽

Muhammad Asam Raza ◽

...

Keyword(s):

Schiff Bases ◽

Spectroscopic Properties ◽

Antibacterial Activities ◽

Metal Chelates ◽

Molecular Structures ◽

Cholinesterase Inhibition ◽

Computational Investigation

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Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b00785 ◽

2017 ◽

Vol 14 (1) ◽

pp. 274-281 ◽

Cited By ~ 17

Author(s):

Alice E. A. Allen ◽

Michael C. Payne ◽

Daniel J. Cole

Keyword(s):

Molecular Mechanics ◽

Force Fields ◽

Hessian Matrix ◽

Force Constants ◽

Harmonic Force

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FSGO calculation of harmonic force fields of selected polyatomic hydrides

Chemical Physics Letters ◽

10.1016/0009-2614(76)85108-1 ◽

1976 ◽

Vol 40 (3) ◽

pp. 410-415 ◽

Cited By ~ 2

Author(s):

Andrew M. Semkow

Keyword(s):

Force Fields ◽

Harmonic Force

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N-salicylideneamino acidate complexes of oxovanadium(IV). Part 1. Crystal and molecular structures and spectroscopic properties

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9940000149 ◽

1994 ◽

pp. 149 ◽

Cited By ~ 50

Author(s):

Isabel Cavaco ◽

Jo�o Costa Pessoa ◽

Dina Costa ◽

Maria T. Duarte ◽

Robert D. Gillard ◽

...

Keyword(s):

Spectroscopic Properties ◽

Molecular Structures ◽

Crystal And Molecular Structures

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ChemInform Abstract: AN AB INITIO INVESTIGATION OF THE HARMONIC FORCE FIELDS AND VIBRATIONAL FREQUENCIES OF ETHYLENE AND CIS- AND TRANS-1,2-DIFLUOROETHYLENE

Chemischer Informationsdienst ◽

10.1002/chin.197941046 ◽

1979 ◽

Vol 10 (41) ◽

Author(s):

C. W. BOCK ◽

P. GEORGE ◽

M. TRACHTMAN

Keyword(s):

Ab Initio ◽

Force Fields ◽

Vibrational Frequencies ◽

Harmonic Force ◽

Cis And Trans

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Harmonic force fields for CF3Cl, CF3Br, and CF3I

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(86)90185-2 ◽

1986 ◽

Vol 118 (2) ◽

pp. 500-506 ◽

Cited By ~ 4

Author(s):

John H. Carpenter ◽

John D. Muse ◽

John G. Smith ◽

Simon W. Walters ◽

David H. Whiffen

Keyword(s):

Force Fields ◽

Harmonic Force

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Analysis of the vibrational spectra, force fields, and molecular structures of pentacarbonyl(methyl)manganese(I) and pentacarbonyl(methyl)rhenium(I)

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(00)00512-x ◽

2000 ◽

Vol 616 (1-2) ◽

pp. 1-9 ◽

Cited By ~ 14

Author(s):

É Bencze ◽

J Mink ◽

I Pápai ◽

I.S Butler ◽

D Lafleur ◽

...

Keyword(s):

Vibrational Spectra ◽

Force Fields ◽

Molecular Structures

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Density Functional Investigation of Methoxy-Substitutedp-Benzoquinones: Conformational Analysis and Harmonic Force Fields of 2-Methoxy- and 2,3-Dimethoxy-1,4-benzoquinone

The Journal of Physical Chemistry ◽

10.1021/jp9609747 ◽

1996 ◽

Vol 100 (34) ◽

pp. 14549-14559 ◽

Cited By ~ 14

Author(s):

Marco Nonella ◽

Christof Brändli

Keyword(s):

Conformational Analysis ◽

Density Functional ◽

Force Fields ◽

Harmonic Force ◽

Functional Investigation

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Harmonic Force Fields and Mean Amplitudes for Aluminum Trifluoride Monomer and Dimber

Spectroscopy Letters ◽

10.1080/00387017408067245 ◽

1974 ◽

Vol 7 (6) ◽

pp. 255-261 ◽

Cited By ~ 5

Author(s):

S. J. Cyvin

Keyword(s):

Force Fields ◽

Harmonic Force ◽

Aluminum Trifluoride

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ChemInform Abstract: Combination of Theoretical ab Initio and Experimental Information To Obtain Reliable Harmonic Force Constants. Scaled Quantum Mechanical (SQM) Force Fields for Glyoxal, Acrolein, Butadiene, Formaldehyde, and Ethylene.

Chemischer Informationsdienst ◽

10.1002/chin.198409069 ◽

1984 ◽

Vol 15 (9) ◽

Author(s):

P. PULAY ◽

G. FORGARASI ◽

G. PONGOR ◽

J. E. BOGGS ◽

A. VARGHA

Keyword(s):

Ab Initio ◽

Force Fields ◽

Experimental Information ◽

Force Constants ◽

Quantum Mechanical ◽

Harmonic Force

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