Zobrazeno 1 - 10
of 88
pro vyhledávání: '"C, Culberson"'
Publikováno v:
International Journal of Quantum Chemistry. 24:401-405
The unrestricted Hartree–Fock (UHF) self-consistent-field (SCF) procedure is shown to be a special case of the saddle-point variational method for atoms and molecules containing inner-shell vacancies.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a6e350f93d6b6fed3fb8ddd7325f461
https://doi.org/10.1002/qua.560240844
https://doi.org/10.1002/qua.560240844
Autor:
William L. Luken, John C. Culberson
Publikováno v:
International Journal of Quantum Chemistry. 22:265-276
The dependence of a Fermi orbital on the position of the probe electron is examined and compared with the corresponding behavior in a uniform-density free-electron gas. The shape of the resulting function is demonstrated with contour maps for the wat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5cec0dc87e96d5f1db17a387d45a8e34
https://doi.org/10.1002/qua.560220828
https://doi.org/10.1002/qua.560220828
Publikováno v:
International Journal of Quantum Chemistry. 30:267-276
We examine 19-pinacolyl (methyl) phosphonofluoridate (soman) [CH3P(O)(F)OCH(CH3)-C(CH3)3] analogues and correlate their fine specificity toward the antibody BE2 using electrostatic potentials (EP) based on INDO/S calculations. It is found that the sh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1bba6ce125ceee79fe2154a6537b3286
https://doi.org/10.1002/qua.560300826
https://doi.org/10.1002/qua.560300826
Web Enabling Technology for the Design, Enumeration, Optimization and Tracking of Compound Libraries
Autor:
Subhas J. Chakravorty, John F. Conway, Bryan Kraker, Bradley P. Feuston, Joseph Forbes, Ralph T. Mosley, J. C. Culberson, Robert P. Sheridan, Georgia B. McGaughey, Craig W. Lindsley, Simon K. Kearsley, Patricia A. Lennon, Mario Valenciano
Publikováno v:
Current Topics in Medicinal Chemistry. 5:773-783
Motivated by the need to augment Merck's in-house small molecule collection, web-based tools for designing, enumerating, optimizing and tracking compound libraries have been developed. The path leading to the current version of this Virtual Library T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1c0dde9d7556278dda7b9660871ca381
https://doi.org/10.2174/1568026054637656
https://doi.org/10.2174/1568026054637656
Publikováno v:
Computational Intelligence. 14:318-334
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a46b955d0d2ed3b0449fc24d31e3bbe0
https://doi.org/10.1111/0824-7935.00065
https://doi.org/10.1111/0824-7935.00065
Publikováno v:
The Journal of Organic Chemistry. 63:2591-2596
The first synthesis of 1,19-aza-1,19-desoxy-avermectin B(1a) (2) is described. This new macrolactam, prepared efficiently from avermectin B(1a) (1a) in seven steps, was designed to form an intramolecular hydrogen bond between the amide carbonyl and t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2f88447cff24101aa3d0584716ec03ea
https://doi.org/10.1021/jo972094+
https://doi.org/10.1021/jo972094+
Autor:
Stephanie Stephens, Jeffrey J. Lawson, James C. Culberson, Paul Harton, Paul B. Brown, Ronald Millecchia
Publikováno v:
Journal of Neurophysiology. 79:983-998
Brown, Paul B., Ronald Millecchia, Jeffrey J. Lawson, Stephanie Stephens, Paul Harton, and James C. Culberson. Dorsal horn spatial representation of simple cutaneous stimuli. J. Neurophysiol. 79: 983–998, 1998. A model of lamina III–IV dorsal hor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b61e6b74f98c1b7304a3d34702268092
https://doi.org/10.1152/jn.1998.79.2.983
https://doi.org/10.1152/jn.1998.79.2.983
Autor:
P D, Williams, P S, Anderson, R G, Ball, M G, Bock, L, Carroll, S H, Chiu, B V, Clineschmidt, J C, Culberson, J M, Erb, B E, Evans
Publikováno v:
Journal of Medicinal Chemistry. 37:565-571
Modifications to the previously reported spiroindenylpiperidine camphor-sulfonamide oxytocin (OT) antagonist L-366,509 have produced a new series of o-tolylpiperazine (TP) camphor-sulfonamides. A number of analogues in the TP series that incorporate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cbee35be16d415185dfe2956648b8b43
https://doi.org/10.1021/jm00031a004
https://doi.org/10.1021/jm00031a004
Publikováno v:
Pediatric emergency care. 26(11)
Objective: The purpose of this study was to evaluate the combined effects of focused system changes on several key measures of emergency department (ED) quality (length of stay, waiting time, rate of leaving without being seen, and patient satisfacti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c23f60d7652c326104102819cc95ba2d
https://pubmed.ncbi.nlm.nih.gov/20944508
https://pubmed.ncbi.nlm.nih.gov/20944508
Autor:
Erb Jm, Douglas J. Pettibone, D. S. Perlow, S.-H. L. Chiu, Peter D. Williams, Roger M. Freidinger, Mark G. Bock, L. A. Carroll, Steven M. Pitzenberger, Michael J. Kaufman, J. C. Culberson, B. E. Evans, J. S. Murphy, G. F. Lundell, S. L. Fitzpatrick, Bradley V. Clineschmidt, Joseph M. Pawluczyk, Richard G. Ball, P. S. Anderson
Publikováno v:
ChemInform. 25
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8e918b89df24f6d0f8346ecd5acf39bb
https://doi.org/10.1002/chin.199427220
https://doi.org/10.1002/chin.199427220