Can heteroatoms induce violations of orbital-symmetry control? Electrocyclic ring opening of oxirane

JOURNAL ARTICLE published April 1983 in Journal of the American Chemical Society

Authors: F. Volatron | Y. Jean

MNDO-effective charge model study of solvent effect on the potential energy surface of the SN2 reaction

JOURNAL ARTICLE published March 1989 in Journal of the American Chemical Society

Authors: Teruya Kozaki | Kenji Morihashi | Osamu Kikuchi

Microwave spectrum and dipole moment of benzvalene

JOURNAL ARTICLE published August 1972 in Journal of the American Chemical Society

Authors: Richard D. Suenram | Marlin D. Harmony

Dealkylation of Organotin Compounds by Biological Dithiols:  Toward the Chemistry of Organotin Toxicity

JOURNAL ARTICLE published 1 November 2003 in Journal of the American Chemical Society

Authors: Bethany Buck | Alessandro Mascioni | Lawrence Que | Gianluigi Veglia

Infrared Measurements of the Association of Ethanol in Carbon Tetrachloride

JOURNAL ARTICLE published March 1958 in Journal of the American Chemical Society

Authors: W. C. Coburn | Ernest Grunwald

An empirical method to calculate average molecular polarizabilities from the dependence of effective atomic polarizabilities on net atomic charge

JOURNAL ARTICLE published March 1993 in Journal of the American Chemical Society

Authors: Kyoung Tai No | Kwang Hwi Cho | Mu Shik Jhon | Harold A. Scheraga

Dynamics of the reaction CH2OH+ .fwdarw. CHO+ + H2. Translational energy release from ab initio trajectory calculations

JOURNAL ARTICLE published May 1992 in Journal of the American Chemical Society

Authors: Einar Uggerud | Trygve Helgaker

Photodissociation Dynamics of Propyne and Allene:  A View from ab Initio Calculations of the C₃H_n (n = 1−4) Species and the Isomerization Mechanism for C₃H₂

JOURNAL ARTICLE published 1 June 1998 in Journal of the American Chemical Society

Authors: A. M. Mebel | W. M. Jackson | A. H. H. Chang | S. H. Lin

Synthesis and Application of Unprotected Cyclic Peptides as Building Blocks for Peptide Dendrimers

JOURNAL ARTICLE published 1 March 1997 in Journal of the American Chemical Society

Authors: Lianshan Zhang | James P. Tam

Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons

JOURNAL ARTICLE published February 1971 in Journal of the American Chemical Society

Authors: John A. Pople | William A. Lathan | Warren J. Hehre

Structure of 3,4-dihydro-2,4,6-triphenyl-s-tetrazin-1(2H)-yl free radical by crystal-packing analysis and x-ray diffraction

JOURNAL ARTICLE published February 1969 in Journal of the American Chemical Society

Authors: Donald E. Williams

Laser excitation and emission spectra of the hexafluorobenzene cation in the gas phase

JOURNAL ARTICLE published January 1981 in Journal of the American Chemical Society

Authors: Trevor Sears | Terry A. Miller | V. E. Bondybey

Small-Ring Compounds. XXXII. The Reaction of Allylcarbinylamine-α-¹⁴C (3-Butenyl-1-¹⁴C-amine) with Nitrous Acid^1,2

JOURNAL ARTICLE published February 1961 in Journal of the American Chemical Society

Authors: E. Renk | John D. Roberts

A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis

JOURNAL ARTICLE published October 1991 in Journal of the American Chemical Society

Authors: Mark A. Thompson | Michael C. Zerner

Shedding Light on Excited-State Structures by Theoretical Analysis of Femtosecond Transient Infrared Spectra:  Intramolecular Charge Transfer in 4-(Dimethylamino)benzonitrile

JOURNAL ARTICLE published 1 March 2000 in Journal of the American Chemical Society

Authors: Jens Dreyer | Andreas Kummrow

Theoretical study of the role of valence and Rydberg states in the photochemistry of ethylene

JOURNAL ARTICLE published December 1981 in Journal of the American Chemical Society

Authors: E. M. Evleth | A. Sevin

Velocity modulation laser spectroscopy of negative ions. The .nu.3 band of azide anion

JOURNAL ARTICLE published May 1987 in Journal of the American Chemical Society

Authors: Mark Polak | Martin Gruebele | Richard J. Saykally

Chemical ionization mass spectrometry. XX. Energy effects and virtual ion temperature in the decomposition kinetics of amino acids and amino acid derivatives

JOURNAL ARTICLE published October 1973 in Journal of the American Chemical Society

Authors: M. Meot-Ner | F. H. Field

Formation, chemistry, and thermochemistry of primary amide complexes of iron(I) and cobalt(I) in the gas phase

JOURNAL ARTICLE published July 1987 in Journal of the American Chemical Society

Authors: Steven W. Buckner | Ben S. Freiser

A Theoretical Computation of the Aromaticity of (Benzene)Cr(CO)₃ Compared to Benzene Using the Exaltation of Magnetic Susceptibility Criterion and a Comparison of Calculated and Experimental NMR Chemical Shifts in These Compounds

JOURNAL ARTICLE published 1 January 1996 in Journal of the American Chemical Society

Authors: D. V. Simion | T. S. Sorensen