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Showing results for ISSN matching 0002-7863

Frozen Density Functional Free Energy Simulations of Redox Proteins:  Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin

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

Authors: Mats H. M. Olsson | Gongyi Hong | Arieh Warshel

https://doi.org/10.1021/ja0212157 Actions

Reactions of allyl chloride on silver(110) to form .eta.3-C3H5 and 1,5-hexadiene

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

Authors: Robert N. Carter | A. Brad Anton | G. Apai

https://doi.org/10.1021/ja00037a062 Actions

Conformational analysis. 126. The conformations and electronic spectra of small nonplanar polyenes

JOURNAL ARTICLE published June 1977 in Journal of the American Chemical Society

Authors: Norman L. Allinger | Julia C. Tai

https://doi.org/10.1021/ja00455a007 Actions

Generalized valence bond description of the low-lying states of nickel carbonyl (NiCO)

JOURNAL ARTICLE published December 1976 in Journal of the American Chemical Society

Authors: Stephen P. Walch | W. A. Goddard

https://doi.org/10.1021/ja00441a004 Actions

Chromophore Design for Photorefractive Applications

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

Authors: Bernard Kippelen | Fabienne Meyers | Nasser Peyghambarian | Seth R. Marder

https://doi.org/10.1021/ja9643477 Actions

Encapsulation of Radioactive 159Gd and 161Tb Atoms in Fullerene Cages

JOURNAL ARTICLE published October 1994 in Journal of the American Chemical Society

Authors: Koichi Kikuchi | Kanako Kobayashi | Keisuke Sueki | Shinzo Suzuki | Hiromichi Nakahara | Yohji Achiba | Kenji Tomura | Motomi Katada

https://doi.org/10.1021/ja00100a063 Actions

Observation of radioactive fullerene families labeled with 11C

JOURNAL ARTICLE published December 1995 in Journal of the American Chemical Society

Authors: Tsutomu Ohtsuki | Kazuyoshi Masumoto | Keisuke Sueki | Kanako Kobayashi | Koichi Kikuchi

https://doi.org/10.1021/ja00156a029 Actions

Ab initio theoretical studies of the Rydberg states of formaldehyde

JOURNAL ARTICLE published February 1977 in Journal of the American Chemical Society

Authors: Lawrence B. Harding | William A. Goddard

https://doi.org/10.1021/ja00445a003 Actions

Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acids

JOURNAL ARTICLE published August 1977 in Journal of the American Chemical Society

Authors: E. Clementi | F. Cavallone | R. Scordamaglia

https://doi.org/10.1021/ja00459a001 Actions

Experimental evidence for the existence of the protonitronium dication (HONO2+) in the gas phase and ab initio molecular orbital calculations of its potential energy surface

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

Authors: Thomas Weiske | Wolfram Koch | Helmut Schwarz

https://doi.org/10.1021/ja00067a053 Actions

A Charge-Transfer Complex of Xenon and Difluorovinylidene

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

Authors: Carsten Kötting | Wolfram Sander | Jürgen Breidung | Walter Thiel | Michael Senzlober | Hans Bürger

https://doi.org/10.1021/ja973387n Actions

Evidence of vibronic state "selectivity" in the photoracemization of tris(1,10-phenanthroline)chromium(III) ion in solution

JOURNAL ARTICLE published September 1979 in Journal of the American Chemical Society

Authors: Roger Sasseville | Cooper H. Langford

https://doi.org/10.1021/ja00513a067 Actions

Ab initio calculation of some vertical excitation energies of N-methylacetamide

JOURNAL ARTICLE published November 1978 in Journal of the American Chemical Society

Authors: Larry E. Nitzsche | Ernest R. Davidson

https://doi.org/10.1021/ja00491a013 Actions

Femtosecond spectroscopy of an encounter pair radical (H3O+.cntdot..cntdot..cntdot.e-)hyd in concentrated aqueous solution

JOURNAL ARTICLE published April 1990 in Journal of the American Chemical Society

Authors: Y. Gauduel | S. Pommeret | A. Migus | N. Yamada | A. Antonetti

https://doi.org/10.1021/ja00164a013 Actions

Nonequilibrium kinetic isotope effects and other aspects of models for hydrogen chloride and deaterium chloride elimination from chloroethane-d0, -d3, and -d5

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

Authors: W. G. Clark | D. W. Setser | K. Dees

https://doi.org/10.1021/ja00750a003 Actions

Reaction ergodography for unimolecular decomposition of ethanol

JOURNAL ARTICLE published April 1984 in Journal of the American Chemical Society

Authors: Tokio Yamabe | Masahiko Koizumi | Koichi Yamashita | Akitomo Tachibana

https://doi.org/10.1021/ja00320a006 Actions

Catenates of the Group IV elements. Correlation of .sigma. electron energies

JOURNAL ARTICLE published February 1970 in Journal of the American Chemical Society

Authors: Colin G. Pitt | Maurice M. Bursey | Peter F. Rogerson

https://doi.org/10.1021/ja00706a016 Actions

Carboxylate-Bridged Diiron(II) Complexes:  Synthesis, Characterization, and O2-Reactivity of Models for the Reduced Diiron Centers in Methane Monooxygenase and Ribonucleotide Reductase

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

Authors: Susanna Herold | Stephen J. Lippard

https://doi.org/10.1021/ja9628563 Actions

Controlling the Electrografting of Polymers onto Transition Metal Surfaces through Solvent vs Monomer Adsorption

JOURNAL ARTICLE published 1 January 1999 in Journal of the American Chemical Society

Authors: X. Crispin | R. Lazzaroni | V. Geskin | N. Baute | P. Dubois | R. Jérôme | J. L. Brédas

https://doi.org/10.1021/ja981730y Actions

The Electron Diffraction Investigation of Sulfur Monochloride, Sulfur Dichloride, Sulfur Trioxide, Thionyl Chloride, Sulfuryl Chloride, Vanadium Oxytrichloride, and Chromyl Chloride

JOURNAL ARTICLE published October 1938 in Journal of the American Chemical Society

Authors: K. J. Palmer

https://doi.org/10.1021/ja01277a023 Actions
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