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Relevant bibliographies by topics / Theoreical and Computational Chemistry / Journal articles

Journal articles on the topic 'Theoreical and Computational Chemistry'

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Author: Grafiati

Published: 6 September 2023

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1

Hase, W. L., and G. E. Scuseria. "Computational chemistry." Computing in Science & Engineering 5, no. 4 (July 2003): 12–13. http://dx.doi.org/10.1109/mcise.2003.1208636.

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2

Truhlar, D. G., and V. Mckoy. "Computational chemistry." Computing in Science & Engineering 2, no. 6 (November 2000): 19–21. http://dx.doi.org/10.1109/mcise.2000.881703.

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3

Leszczynski, Jerzy. "Computational chemistry." Parallel Computing 26, no. 7-8 (July 2000): 817–18. http://dx.doi.org/10.1016/s0167-8191(00)00013-2.

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4

DeTar, DeLosF. "Computational Chemistry." Computers & Chemistry 13, no. 3 (January 1989): 297. http://dx.doi.org/10.1016/0097-8485(89)85015-6.

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5

Schuster, Peter, and Peter Wolschann. "Computational chemistry." Monatshefte für Chemie - Chemical Monthly 139, no. 4 (January 18, 2008): III—IV. http://dx.doi.org/10.1007/s00706-008-0882-8.

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6

Schneider, Gisbert. "Computational medicinal chemistry." Future Medicinal Chemistry 3, no. 4 (March 2011): 393–94. http://dx.doi.org/10.4155/fmc.11.10.

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7

Fernández, Israel, and Fernando P. Cossío. "Applied computational chemistry." Chemical Society Reviews 43, no. 14 (2014): 4906. http://dx.doi.org/10.1039/c4cs90040e.

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8

Yates, Brian F. "Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 102 (2006): 219. http://dx.doi.org/10.1039/b518099f.

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9

Bachrach, Steven M. "Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 105 (2009): 398. http://dx.doi.org/10.1039/b822063h.

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10

Mück-Lichtenfeld, Christian. "Computational Organic Chemistry." Synthesis 2008, no. 11 (June 2008): 1808. http://dx.doi.org/10.1055/s-2008-1080541.

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11

Bachrach, Steven M. "Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 108 (2012): 334. http://dx.doi.org/10.1039/c2oc90002e.

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12

KRIEGER, JAMES H. "COMPUTATIONAL CHEMISTRY IMPACT." Chemical & Engineering News 75, no. 19 (May 12, 1997): 30. http://dx.doi.org/10.1021/cen-v075n019.p030.

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13

Leszczynski, Jerzy. "Preface: Computational Chemistry." Structural Chemistry 14, no. 5 (October 2003): 429. http://dx.doi.org/10.1023/b:stuc.0000004671.95092.2b.

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14

KUBO, Momoji, Michihisa KOYAMA, and Akira MIYAMOTO. "Combinatorial Computational Chemistry." Hyomen Kagaku 25, no. 11 (2004): 690–98. http://dx.doi.org/10.1380/jsssj.25.690.

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15

Jackson, Kelvin, Sami K. Jaffar, and Robert S. Paton. "Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 109 (2013): 235. http://dx.doi.org/10.1039/c3oc90007j.

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16

Harrison, Robert J., George I. Fann, Zhengting Gan, Takeshi Yanai, Shinichiro Sugiki, Ariana Beste, and Gregory Beylkin. "Multiresolution computational chemistry." Journal of Physics: Conference Series 16 (January 1, 2005): 243–46. http://dx.doi.org/10.1088/1742-6596/16/1/032.

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17

Bachrach, Steven M. "Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 107 (2011): 349. http://dx.doi.org/10.1039/c1oc90002a.

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18

Bachrach, Steven M. "Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 106 (2010): 407. http://dx.doi.org/10.1039/b927078g.

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19

Bachrach, Steven M. "Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 104 (2008): 394. http://dx.doi.org/10.1039/b719311b.

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20

Stahl, Martin, and Jürgen Bajorath. "Computational Medicinal Chemistry." Journal of Medicinal Chemistry 54, no. 1 (January 13, 2011): 1–2. http://dx.doi.org/10.1021/jm1013055.

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21

Kaltsoyannis, Nikolas. "Transuranic Computational Chemistry." Chemistry - A European Journal 24, no. 12 (November 30, 2017): 2815–25. http://dx.doi.org/10.1002/chem.201704445.

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22

Ot, W. J. "Computational quantum chemistry." Journal of Molecular Structure: THEOCHEM 207, no. 3-4 (June 1990): 333. http://dx.doi.org/10.1016/0166-1280(90)85035-l.

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23

Sendlinger, Shawn C., and Clyde R. Metz. "Computational Chemistry for Chemistry Educators." Journal of Computational Science Education 1, no. 1 (December 2010): 28–32. http://dx.doi.org/10.22369/issn.2153-4136/1/1/4.

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24

Chuyko, A., V. Khavryutchenko, P. Nechitajlov, and E. Sheka. "Computational chemistry and computational vibration spectroscopy of aerosil." Colloids and Surfaces A: Physicochemical and Engineering Aspects 74, no. 1 (July 1993): 127. http://dx.doi.org/10.1016/0927-7757(93)80404-3.

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25

Wei, Guo-Wei, Thereza A. Soares, Habibah Wahab, and Renxiao Wang. "Computational Chemistry in Asia." Journal of Chemical Information and Modeling 61, no. 2 (February 2, 2021): 547. http://dx.doi.org/10.1021/acs.jcim.1c00081.

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26

Hamid, Faiz, and Amina M. Abass. "Overview on computational chemistry." International Journal of Research in Engineering and Innovation 05, no. 06 (2021): 397–402. http://dx.doi.org/10.36037/ijrei.2021.5608.

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27

McCardle, Kaitlin, and Jie Pan. "Computational chemistry for all." Nature Computational Science 2, no. 3 (March 2022): 134–36. http://dx.doi.org/10.1038/s43588-022-00209-0.

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28

Lewis, Richard, Peter Ertl, Edgar Jacoby, Marina Tintelnot-Blomley, Peter Gedeck, Romain M. Wolf, and Manuel C. Peitsch. "Computational Chemistry at Novartis." CHIMIA International Journal for Chemistry 59, no. 7 (July 1, 2005): 545–49. http://dx.doi.org/10.2533/000942905777676155.

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29

Meuwly, Markus. "Theoretical and Computational Chemistry." CHIMIA International Journal for Chemistry 64, no. 12 (December 15, 2010): 867–70. http://dx.doi.org/10.2533/chimia.2010.867.

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30

Yates, Brian F. "11 Computational organic chemistry." Annu. Rep. Prog. Chem., Sect. B: Org. Chem. 100 (2004): 251–83. http://dx.doi.org/10.1039/b404044a.

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31

秦, 宁. "Progress in Computational Chemistry." Interdisciplinary Science Letters 02, no. 04 (2018): 111–32. http://dx.doi.org/10.12677/isl.2018.24021.

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32

Houk, K. N. "Foreword: Applied computational chemistry." Chemical Society Reviews 43, no. 14 (2014): 4905. http://dx.doi.org/10.1039/c4cs90049a.

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33

Yates, Brian F. "13 Computational organic chemistry." Annu. Rep. Prog. Chem., Sect. B: Org. Chem. 98 (2002): 607–38. http://dx.doi.org/10.1039/b110351m.

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34

Yates, Brian F. "9 Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 99 (2003): 292. http://dx.doi.org/10.1039/b212014n.

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35

Yang, Xinzheng, and Thomas Strassner. "Modern computational organometallic chemistry." Journal of Organometallic Chemistry 864 (June 2018): 1. http://dx.doi.org/10.1016/j.jorganchem.2018.04.020.

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36

Wahab, Habibah A., Rommie E. Amaro, and Zoe Cournia. "Women in Computational Chemistry." Journal of Chemical Information and Modeling 58, no. 11 (October 2, 2018): 2175–77. http://dx.doi.org/10.1021/acs.jcim.8b00642.

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37

Carter, Emily A., and Peter J. Rossky. "Computational and Theoretical Chemistry." Accounts of Chemical Research 39, no. 2 (February 2006): 71–72. http://dx.doi.org/10.1021/ar050190o.

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38

Clementi, Enrico. "Ab initio computational chemistry." Journal of Physical Chemistry 89, no. 21 (October 1985): 4426–36. http://dx.doi.org/10.1021/j100267a007.

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39

Davidson, Ernest R. "Computational Transition Metal Chemistry." Chemical Reviews 100, no. 2 (February 2000): 351–52. http://dx.doi.org/10.1021/cr980385s.

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40

Guest, M. F., P. Sherwood, and J. H. Lenthe. "Parallelism in computational chemistry." Theoretica Chimica Acta 84, no. 4-5 (January 1993): 423–41. http://dx.doi.org/10.1007/bf01113280.

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41

Yates, Brian F. "Computational Chemistry and Spectroscopy." Australian Journal of Chemistry 57, no. 12 (2004): 1117. http://dx.doi.org/10.1071/ch04231.

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42

Massa, L., L. Huang, and J. Karle. "Computational chemistry of macromolecules." Acta Crystallographica Section A Foundations of Crystallography 58, s1 (August 6, 2002): c54. http://dx.doi.org/10.1107/s0108767302087263.

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43

Yates, Brian F. "10 Computational organic chemistry." Annual Reports Section "B" (Organic Chemistry) 101 (2005): 210. http://dx.doi.org/10.1039/b500216h.

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44

Kojic-Prodic, Biserka, and Vivian Cody. "Reviews in computational chemistry." Journal of Molecular Graphics 11, no. 1 (March 1993): 70. http://dx.doi.org/10.1016/0263-7855(93)85039-s.

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45

Counts, Richard W. "What is computational chemistry?" Journal of Computer-Aided Molecular Design 1, no. 1 (April 1987): 95–96. http://dx.doi.org/10.1007/bf01680560.

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46

Thiel, Walter, and Gerhard Hummer. "Methods for computational chemistry." Nature 504, no. 7478 (December 2013): 96–97. http://dx.doi.org/10.1038/504096a.

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47

Wei, Guo-Wei, Thereza A. Soares, Habibah Wahab, and Feng Zhu. "Computational Chemistry in Asia." Journal of Chemical Information and Modeling 62, no. 21 (November 14, 2022): 5035–37. http://dx.doi.org/10.1021/acs.jcim.2c01050.

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48

Catlow, C. R. A. "Computational solid state chemistry." Computational Materials Science 2, no. 1 (January 1994): 6–18. http://dx.doi.org/10.1016/0927-0256(94)90042-6.

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49

van Vlijmen, Herman, Renee L. Desjarlais, and Tara Mirzadegan. "Computational chemistry at Janssen." Journal of Computer-Aided Molecular Design 31, no. 3 (December 19, 2016): 267–73. http://dx.doi.org/10.1007/s10822-016-9998-9.

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50

Renouf, D. "Reviews in computational chemistry." Carbohydrate Research 261, no. 2 (August 1994): C4—C6. http://dx.doi.org/10.1016/0008-6215(94)84031-8.

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