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Schroeder, Stefan, Thiel, Walter (1985) Comparison of semiempirical and ab initio transition states. Journal Of The American Chemical Society, 107 (15) 4422-4430 doi:10.1021/ja00301a010

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Reference TypeJournal (article/letter/editorial)
TitleComparison of semiempirical and ab initio transition states
JournalJournal Of The American Chemical Society
AuthorsSchroeder, StefanAuthor
Thiel, WalterAuthor
Year1985 (July)Volume107
Issue15
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00301a010Search in ResearchGate
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Mindat Ref. ID1401650Long-form Identifiermindat:1:5:1401650:7
GUID0
Full ReferenceSchroeder, Stefan, Thiel, Walter (1985) Comparison of semiempirical and ab initio transition states. Journal Of The American Chemical Society, 107 (15) 4422-4430 doi:10.1021/ja00301a010
Plain TextSchroeder, Stefan, Thiel, Walter (1985) Comparison of semiempirical and ab initio transition states. Journal Of The American Chemical Society, 107 (15) 4422-4430 doi:10.1021/ja00301a010
In(1985, July) Journal Of The American Chemical Society Vol. 107 (15) American Chemical Society (ACS)

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Schroeder, Stefan., Thiel, Walter. (1986) Correlation effects on semiempirical transition states. Journal Of The American Chemical Society, 108 (25) 7985-7989 doi:10.1021/ja00285a017
SCHROEDER, S., THIEL, W. (1985) ChemInform Abstract: COMPARISON OF SEMIEMPIRICAL AND AB INITIO TRANSITION STATES. Chemischer Informationsdienst, 16 (45) doi:10.1002/chin.198545095
Schröder, Stefan, Thiel, Walter (1986) Comparison of semiempirical and ab initio transition states for organic reactions. Journal of Molecular Structure: THEOCHEM, 138. 141-150 doi:10.1016/0166-1280(86)87017-8
Caramella, Pierluigi, Houk, K. N., Domelsmith, L. N. (1977) The dichotomy between cycloaddition transition states calculated by semiempirical and ab initio techniques. Journal Of The American Chemical Society, 99 (13) 4511-4514 doi:10.1021/ja00455a056
Thiel, Walter (1981) MNDOC study of reactive intermediates and transition states. Journal Of The American Chemical Society, 103 (6) 1420-1425 doi:10.1021/ja00396a022
Berkovitch-Yellin, Ziva (1985) Toward an ab initio derivation of crystal morphology. Journal Of The American Chemical Society, 107 (26) 8239-8253 doi:10.1021/ja00312a070
McKee, Michael L. (1985) Ab initio and MNDO study of nitromethane and the nitromethyl radical. Journal Of The American Chemical Society, 107 (7) 1900-1904 doi:10.1021/ja00293a017
Schroeder, Stefan, Daggett, Valerie, Kollman, Peter (1991) A comparison of the AM1 and PM3 semiempirical models for evaluating model compounds relevant to catalysis by serine proteases. Journal Of The American Chemical Society, 113 (23) 8922-8925 doi:10.1021/ja00023a046
Martin, Miguel, Carbo, Ramon, Petrongolo, Carlo, Tomasi, Jacopo (1975) Structure-activity relations of phenethylamine. Comparison of quantum mechanical SCF ab initio and semiempirical calculations. Journal Of The American Chemical Society, 97 (6) 1338-1347 doi:10.1021/ja00839a009
McKee, Michael L. (1985) MNDO and ab initio study of the reduction of formaldehyde by lithium methylamide. Journal Of The American Chemical Society, 107 (25) 7284-7290 doi:10.1021/ja00311a010
Cimiraglia, Renzo, Persico, Maurizio, Tomasi, Jacopo (1985) Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines. Journal Of The American Chemical Society, 107 (6) 1617-1622 doi:10.1021/ja00292a026
 
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