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Bashaye, Tessema

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: Condition: New. Publisher/Verlag: LAP Lambert Academic Publishing | Theoretical Studies | This theoretical study was aimed to predict transition state structures, the path of electron transfer and probe plausible mechanistic rout for hydroxylation of 6-mp or hypoxanthine with XO by relating the electronic structure to reactivity. Density functional theory (DFT)/ B3LYP method with 6-311G (d, p) full electron and LANL2DZ effective core potential (ECP) basis sets were used to probe the electronic structure of meta stable structure.The transition state energy barrier of 6-mercaptopurine was lower than hypoxanthine by 20kcal/mol in average. The ionicity data revealed that, the presence of substantial negative charge on proton suggests hydride transfer from substrate to active site. Bond length analysis showed that the transition state CRH-Oeq bond length is nearly completely formed where as the CRH-HRH bond length was only 36.78% broken. Geometry optimization revealed that hydroxylation of 6-mecaptopurine or hypoxanthine by XO follow stepwise mechanism. | Format: Paperback | Language/Sprache: english | 88 pp. Seller Inventory # K9783659287992

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Bashaye Tessema

Published by LAP Lambert Academic Publishing 2012-11-16 (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing 2012-11-16, 2012. paperback. Condition: New. Seller Inventory # 9783659287992

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Bashaye Tessema

Published by LAP Lambert Academic Publishing (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing, 2012. PAP. Condition: New. New Book. Shipped from US within 10 to 14 business days. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000. Seller Inventory # IQ-9783659287992

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Bashaye Tessema

Published by LAP Lambert Academic Publishing (2016)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing, 2016. Paperback. Condition: New. PRINT ON DEMAND Book; New; Publication Year 2016; Not Signed; Fast Shipping from the UK. No. book. Seller Inventory # ria9783659287992_lsuk

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Bashaye Tessema

Published by LAP Lambert Academic Publishing (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing, 2012. PAP. Condition: New. New Book. Delivered from our UK warehouse in 4 to 14 business days. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000. Seller Inventory # LQ-9783659287992

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Bashaye, Tessema

Published by LAP LAMBERT Academic Publishing

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP LAMBERT Academic Publishing. Condition: New. Paperback. Worldwide shipping. FREE fast shipping inside USA (express 2-3 day delivery also available). Tracking service included. Ships from United States of America. Seller Inventory # 3659287997

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ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: Condition: New. Seller Inventory # ria9783659287992_ing

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Bashaye, Tessema

Published by LAP LAMBERT Academic Publishing (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP LAMBERT Academic Publishing, 2012. Paperback. Condition: New. This item is printed on demand. Seller Inventory # INGM9783659287992

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Tessema Bashaye

Published by LAP Lambert Academic Publishing Nov 2012 (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing Nov 2012, 2012. Taschenbuch. Condition: Neu. Neuware - This theoretical study was aimed to predict transition state structures, the path of electron transfer and probe plausible mechanistic rout for hydroxylation of 6-mp or hypoxanthine with XO by relating the electronic structure to reactivity. Density functional theory (DFT)/ B3LYP method with 6-311G (d, p) full electron and LANL2DZ effective core potential (ECP) basis sets were used to probe the electronic structure of meta stable structure.The transition state energy barrier of 6-mercaptopurine was lower than hypoxanthine by 20kcal/mol in average. The ionicity data revealed that, the presence of substantial negative charge on proton suggests hydride transfer from substrate to active site. Bond length analysis showed that the transition state CRH-Oeq bond length is nearly completely formed where as the CRH-HRH bond length was only 36.78% broken. Geometry optimization revealed that hydroxylation of 6-mecaptopurine or hypoxanthine by XO follow stepwise mechanism. 88 pp. Englisch. Seller Inventory # 9783659287992

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Tessema Bashaye

Published by LAP Lambert Academic Publishing Nov 2012 (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing Nov 2012, 2012. Taschenbuch. Condition: Neu. Neuware - This theoretical study was aimed to predict transition state structures, the path of electron transfer and probe plausible mechanistic rout for hydroxylation of 6-mp or hypoxanthine with XO by relating the electronic structure to reactivity. Density functional theory (DFT)/ B3LYP method with 6-311G (d, p) full electron and LANL2DZ effective core potential (ECP) basis sets were used to probe the electronic structure of meta stable structure.The transition state energy barrier of 6-mercaptopurine was lower than hypoxanthine by 20kcal/mol in average. The ionicity data revealed that, the presence of substantial negative charge on proton suggests hydride transfer from substrate to active site. Bond length analysis showed that the transition state CRH-Oeq bond length is nearly completely formed where as the CRH-HRH bond length was only 36.78% broken. Geometry optimization revealed that hydroxylation of 6-mecaptopurine or hypoxanthine by XO follow stepwise mechanism. 88 pp. Englisch. Seller Inventory # 9783659287992

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Tessema Bashaye

Published by LAP Lambert Academic Publishing

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing. Paperback. Condition: New. 88 pages. Dimensions: 8.7in. x 5.9in. x 0.2in.This theoretical study was aimed to predict transition state structures, the path of electron transfer and probe plausible mechanistic rout for hydroxylation of 6-mp or hypoxanthine with XO by relating the electronic structure to reactivity. Density functional theory (DFT) B3LYP method with 6-311G (d, p) full electron and LANL2DZ effective core potential (ECP) basis sets were used to probe the electronic structure of meta stable structure. The transition state energy barrier of 6-mercaptopurine was lower than hypoxanthine by 20kcalmol in average. The ionicity data revealed that, the presence of substantial negative charge on proton suggests hydride transfer from substrate to active site. Bond length analysis showed that the transition state CRH-Oeq bond length is nearly completely formed where as the CRH-HRH bond length was only 36. 78 broken. Geometry optimization revealed that hydroxylation of 6-mecaptopurine or hypoxanthine by XO follow stepwise mechanism. This item ships from multiple locations. Your book may arrive from Roseburg,OR, La Vergne,TN. Paperback. Seller Inventory # 9783659287992

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Bashaye Tessema

Published by LAP Lambert Academic Publishing, United States (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing, United States, 2012. Paperback. Condition: New. Language: English . Brand New Book ***** Print on Demand *****.This theoretical study was aimed to predict transition state structures, the path of electron transfer and probe plausible mechanistic rout for hydroxylation of 6-mp or hypoxanthine with XO by relating the electronic structure to reactivity. Density functional theory (DFT)/ B3LYP method with 6-311G (d, p) full electron and LANL2DZ effective core potential (ECP) basis sets were used to probe the electronic structure of meta stable structure.The transition state energy barrier of 6-mercaptopurine was lower than hypoxanthine by 20kcal/mol in average. The ionicity data revealed that, the presence of substantial negative charge on proton suggests hydride transfer from substrate to active site. Bond length analysis showed that the transition state CRH-Oeq bond length is nearly completely formed where as the CRH-HRH bond length was only 36.78 broken. Geometry optimization revealed that hydroxylation of 6-mecaptopurine or hypoxanthine by XO follow stepwise mechanism. Seller Inventory # AAV9783659287992

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Tessema Bashaye

Published by LAP Lambert Academic Publishing Nov 2012 (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP Lambert Academic Publishing Nov 2012, 2012. Taschenbuch. Condition: Neu. This item is printed on demand - Print on Demand Neuware - This theoretical study was aimed to predict transition state structures, the path of electron transfer and probe plausible mechanistic rout for hydroxylation of 6-mp or hypoxanthine with XO by relating the electronic structure to reactivity. Density functional theory (DFT)/ B3LYP method with 6-311G (d, p) full electron and LANL2DZ effective core potential (ECP) basis sets were used to probe the electronic structure of meta stable structure.The transition state energy barrier of 6-mercaptopurine was lower than hypoxanthine by 20kcal/mol in average. The ionicity data revealed that, the presence of substantial negative charge on proton suggests hydride transfer from substrate to active site. Bond length analysis showed that the transition state CRH-Oeq bond length is nearly completely formed where as the CRH-HRH bond length was only 36.78% broken. Geometry optimization revealed that hydroxylation of 6-mecaptopurine or hypoxanthine by XO follow stepwise mechanism. 88 pp. Englisch. Seller Inventory # 9783659287992

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Tessema Bashaye

Published by LAP LAMBERT Academic Publishing (2012)

ISBN 10: 3659287997 ISBN 13: 9783659287992

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About this Item: LAP LAMBERT Academic Publishing, 2012. Paperback. Condition: Good. Ships with Tracking Number! INTERNATIONAL WORLDWIDE Shipping available. May not contain Access Codes or Supplements. May be ex-library. Shipping & Handling by region. Buy with confidence, excellent customer service!. Seller Inventory # 3659287997

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Results (1 - 14) of 14