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Books on the topic 'Molecular orbital'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Tedder, John M. Pictorial orbital theory. Pitman, 1985.

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2

J, Hehre Warren, ed. Ab initio molecular orbital theory. Wiley, 1986.

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3

Albright, Thomas A. Problems in molecular orbital theory. Oxford University Press, 1992.

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4

Udagawa, Taro. Multi-component molecular orbital theory. Nova Science Publishers, 2009.

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5

Udagawa, Taro. Multi-component molecular orbital theory. Nova Science Publishers, 2008.

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6

Albright, Thomas A. Orbital interactions in chemistry. Wiley, 1985.

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7

Stewart, James J. P. Mopac: A semiempirical molecular orbital program. ESCOM Science Publisher, 1990.

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8

Anne-Marie, Sapse, ed. Molecular orbital calculations for biological systems. Oxford University Press, 1998.

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9

Burtman, Vladimir. Molecular orbital gap studies in tunneling single molecular devices. Nova Science Publishers, 2011.

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10

Dias, Jerry Ray. Molecular Orbital Calculations Using Chemical Graph Theory. Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-77894-0.

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11

Ishii, Tomohiko, Hisanobu Wakita, Kazuyoshi Ogasawara та Yang-Soo Kim, ред. The DV-Xα Molecular-Orbital Calculation Method. Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-11185-8.

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12

Dias, Jerry Ray. Molecular orbital calculations using chemical graph theory. Springer-Verlag, 1993.

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13

Dmitri, Fedorov, and Kitaura Kazuo, eds. The fragment molecular orbital method: Practical applications to large molecular systems. Taylor & Francis, 2009.

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14

Wigg, Alison. Molecular orbital studies of large molecules: Internal rotation in the monofluorobenaldehydes. University of Salford, 1989.

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15

Sapse, Anne-Marie. Molecular Orbital Calculations for Amino Acids and Peptides. Birkhäuser Boston, 2000. http://dx.doi.org/10.1007/978-1-4612-1354-3.

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16

Mochizuki, Yuji, Shigenori Tanaka, and Kaori Fukuzawa, eds. Recent Advances of the Fragment Molecular Orbital Method. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-15-9235-5.

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17

Sapse, Anne-Marie. Molecular orbital calculations for amino acids and peptides. Birkhäuser, 2000.

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18

Sapse, Anne-Marie. Molecular Orbital Calculations for Amino Acids and Peptides. Birkhäuser Boston, 2000.

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19

Zaman, A. Molecular orbital studies and theoretical NMR calculations of zeolites. UMIST, 1997.

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20

Farnworth, Kevin J. Molecular orbital studies of inorganic framework structuresdKevin J. Farnworth. UMIST, 1995.

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21

Collins, S. J. Molecular orbital studies of hydrocarbon transformations over acidic zeolites. UMIST, 1995.

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22

Greenspan, Donald. On attractive force between electrons in the same molecular orbital. University of Texas at Arlington, Dept. of Mathematics, Research Center for Advanced Study (RCAS), 1991.

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23

Halevi, E. Amitai. Orbital symmetry and reaction mechanism: The OCAMS view. Springer-Verlag, 1992.

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24

Leeuwen, P. W. N. M. van, Morokuma K. 1934-, and Lenthe Joop H. van, eds. Theoretical aspects of homogeneous catalysis: Applications of ab initio molecular orbital theory. Kluwer Academic, 1995.

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25

Poirier, Raymond. Handbook of Gaussian basis sets: A compendium for Ab-initio molecular orbital calculations. Elsevier, 1985.

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26

Roy, Kari, and Csizmadia I. G, eds. Handbook of Gaussian basis sets: A compendium for ab-initio molecular orbital calculations. Elsevier, 1985.

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27

Morales, Wilfredo. A molecular orbital study on the interaction between BF₃ and the compounds dimethyl ether and perfluorodimethyl ether. National Aeronautics and Space Administration, 1996.

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28

Mulliken, Robert S. Life of a Scientist: An Autobiographical Account of the Development of Molecular Orbital Theory. Springer Berlin Heidelberg, 1989.

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29

Marassi, Francesca M. The selective binding of nitroaromatics to aminopropyltriethoxysilane studied by the AM1 molecular orbital method. National Library of Canada, 1990.

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30

Mulliken, Robert Sanderson. Life of a scientist: An autobiogrphical account of the development of molecular orbital theory with an introductory memoir by Friedrich Hund. Springer-Verlag, 1989.

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31

Anderson, Alfred B. Final report on the project: Molecular orbital studies in oxidation : sulfate formation and metal-metal oxide adhesion. Chemistry Dept., Case Western Reserve University, 1985.

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32

Aoqing, Tang, ed. Graph theoretical molecular orbitals. Science Press, 1986.

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33

Center, Langley Research, ed. Finite-perturbation intermediate-neglect-of-differential-overlap molecular orbital calculations of nuclear magnetic resonance spin-spin coupling constants for polycyclic aromatic hydrocarbons and aromatic nitrogen heterocyclics. North Carolina State University, 1985.

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34

Jean, Yves. An introduction to molecular orbitals. Oxford University Press, 1993.

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35

Huzinaga. Molecular Orbital Method. University of Cambridge ESOL Examinations, 2000.

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36

Kitaura, Kazuo, and Dmitri Fedorov. Fragment Molecular Orbital Method. Taylor & Francis Group, 2019.

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37

Bansal, Kamlesh. Molecular Structure & Orbital Theory. Campus Books International, 2000.

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38

Yates, Keith. Hückel Molecular Orbital Theory. Elsevier Science & Technology Books, 2012.

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39

Sapse, Anne-Marie, ed. Molecular Orbital Calculations for Biological Systems. Oxford University Press, 1998. http://dx.doi.org/10.1093/oso/9780195098730.001.0001.

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Abstract:

Molecular Orbital Calculations for Biological Systems is a hands-on guide to computational quantum chemistry and its applications in organic chemistry, biochemistry, and molecular biology. With improvements in software, molecular modeling techniques are now becoming widely available; they are increasingly used to complement experimental results, saving significant amounts of lab time. Common applications include pharmaceutical research and development; for example, ab initio and semi-empirical methods are playing important roles in peptide investigations and in drug design. The opening chapter

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40

Kier, Lemont. Molecular Orbital Theory in Drug Research. Elsevier Science & Technology Books, 2012.

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41

Kier, Lemont B. Molecular Orbital Studies in Chemical Pharmacology. Springer London, Limited, 2012.

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42

Molecular Orbital Calculations for Biological Systems. Oxford University Press, Incorporated, 1998.

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43

Whangbo, Myung-Hwan, Jeremy K. Burdett, and Thomas A. Albright. Orbital Interactions Chemistry. 2nd ed. Wiley-Interscience, 2002.

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44

Kitaura, Kazuo, and Dmitri Fedorov. Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems. Taylor & Francis Group, 2009.

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45

Kitaura, Kazuo, and Dmitri Fedorov. Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems. Taylor & Francis Group, 2009.

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46

Whangbo, Myung-Hwan, Jeremy K. Burdett, and Thomas A. Albright. Orbital Interactions in Chemistry. Wiley & Sons, Incorporated, John, 2013.

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47

Whangbo, Myung-Hwan, Jeremy K. Burdett, and Thomas A. Albright. Orbital Interactions in Chemistry. Wiley & Sons, Incorporated, John, 2013.

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48

Whangbo, Myung-Hwan, Jeremy K. Burdett, and Thomas A. Albright. Orbital Interactions in Chemistry. Wiley & Sons, Incorporated, John, 2013.

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49

Whangbo, Myung-Hwan, Jeremy K. Burdett, and Thomas A. Albright. Orbital Interactions in Chemistry. Wiley & Sons, Limited, John, 2013.

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50

Whangbo, Myung-Hwan, Jeremy K. Burdett, and Thomas A. Albright. Orbital Interactions in Chemistry. Wiley & Sons, Incorporated, John, 2015.

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