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Refinado por: Lista de Todas as Versões General Chemistry remover
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1
PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods
PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods
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PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods

Repasky, Matthew P. ; Chandrasekhar, Jayaraman ; Jorgensen, William L.

Journal of computational chemistry, 2002-12, Vol.23 (16), p.1601-1622 [Periódico revisado por pares]

New York: Wiley Subscription Services, Inc., A Wiley Company

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2
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens
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Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens

Tubert-Brohman, Ivan ; Guimarães, Cristiano Ruch Werneck ; Repasky, Matthew P. ; Jorgensen, William L.

Journal of computational chemistry, 2004-01, Vol.25 (1), p.138-150 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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3
Hydrogenation Pathway of Quinolines over Raney Nickel and Ru/C
Hydrogenation Pathway of Quinolines over Raney Nickel and Ru/C
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Hydrogenation Pathway of Quinolines over Raney Nickel and Ru/C

Okazaki, Hiroshi ; Onishi, Kiyotaka ; Soeda, Mahito ; Ikefuji, Yoshio ; Tamura, Ryuji ; Mochida, Isao

Bulletin of the Chemical Society of Japan, 1990-11, Vol.63 (11), p.3167-3174 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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4
Partial Charge Calculation Method Affects CoMFA QSAR Prediction Accuracy
Partial Charge Calculation Method Affects CoMFA QSAR Prediction Accuracy
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Partial Charge Calculation Method Affects CoMFA QSAR Prediction Accuracy

Mittal, Ruchi R ; Harris, Lisa ; McKinnon, Ross A ; Sorich, Michael J

Journal of Chemical Information and Modeling, 2009-03, Vol.49 (3), p.704-709 [Periódico revisado por pares]

United States: American Chemical Society

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5
Electronic Structures and Oxidation Potentials of Some Azulene Derivatives
Electronic Structures and Oxidation Potentials of Some Azulene Derivatives
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Electronic Structures and Oxidation Potentials of Some Azulene Derivatives

Kurihara, Teruo ; Suzuki, Takanori ; Wakabayashi, Hidetsugu ; Ishikawa, Sumio ; Shindo, Kimio ; Shimada, Yuji ; Chiba, Hiroshi ; Miyashi, Tsutomu ; Yasunami, Masafumi ; Nozoe, Tetsuo

Bulletin of the Chemical Society of Japan, 1996-07, Vol.69 (7), p.2003-2008 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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6
Evaluation of Computational Chemistry Methods:  Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes
Evaluation of Computational Chemistry Methods:  Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes
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Evaluation of Computational Chemistry Methods:  Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes

Ercanli, Tulay ; Boyd, Donald B

Journal of chemical information and modeling, 2005-05, Vol.45 (3), p.591-601 [Periódico revisado por pares]

United States: American Chemical Society

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7
Origin of the Enantioselectivity of Lipases Explained by a Stereo-Sensing Mechanism Operative at the Transition State
Origin of the Enantioselectivity of Lipases Explained by a Stereo-Sensing Mechanism Operative at the Transition State
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Origin of the Enantioselectivity of Lipases Explained by a Stereo-Sensing Mechanism Operative at the Transition State

Ema, Tadashi ; Kobayashi, Juka ; Maeno, Soichi ; Sakai, Takashi ; Utaka, Masanori

Bulletin of the Chemical Society of Japan, 1998-02, Vol.71 (2), p.443-453 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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8
Reactivity and Selectivity in the Wittig Reaction:  A Computational Study
Reactivity and Selectivity in the Wittig Reaction:  A Computational Study
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Reactivity and Selectivity in the Wittig Reaction:  A Computational Study

Robiette, Raphaël ; Richardson, Jeffery ; Aggarwal, Varinder K ; Harvey, Jeremy N

Journal of the American Chemical Society, 2006-02, Vol.128 (7), p.2394-2409 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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9
Magnetic Properties of 1,3,5-Tris[bis(p-methoxyphenyl)amino]benzene Cation Radicals
Magnetic Properties of 1,3,5-Tris[bis(p-methoxyphenyl)amino]benzene Cation Radicals
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Magnetic Properties of 1,3,5-Tris[bis(p-methoxyphenyl)amino]benzene Cation Radicals

Yoshizawa, Kazunari ; Hatanaka, Masashi ; Ago, Hiroki ; Tanaka, Kazuyoshi ; Yamabe, Tokio

Bulletin of the Chemical Society of Japan, 1996-05, Vol.69 (5), p.1417-1422 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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10
Semiconductor Photocatalysis: Reaction Mechanisms for the Photoreductive cis–trans Isomerization of Electron-Deficient Alkenes Catalyzed by CdS Powder
Semiconductor Photocatalysis: Reaction Mechanisms for the Photoreductive cis–trans Isomerization of Electron-Deficient Alkenes Catalyzed by CdS Powder
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Semiconductor Photocatalysis: Reaction Mechanisms for the Photoreductive cis–trans Isomerization of Electron-Deficient Alkenes Catalyzed by CdS Powder

Shiragami, Tsutomu ; Fukami, Shinako ; Pac, Chyongjin ; Wada, Yuji ; Yanagida, Shozo

Bulletin of the Chemical Society of Japan, 1993-09, Vol.66 (9), p.2461-2466 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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