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41
Molecular dynamics : from classical to quantum methods /

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Corporate Authors: Elsevier Science & Technology.
Group Author: Balbuena, Perla B. (Editor); Seminario, J. M. (Editor)
Published: Elsevier,
Publication Dates: 1999.
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42
Modern density functional theory : a tool for chemistry /

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Corporate Authors: Elsevier Science & Technology.
Group Author: Seminario, J. M. (Editor); Politzer, Peter, 1937- (Editor)
Published: Elsevier,
Publication Dates: 1995.
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43
Recent developments and applications of modern density functional theory /

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Corporate Authors: Elsevier Science & Technology.
Group Author: Seminario, J. M. (Editor)
Published: Elsevier,
Publication Dates: 1996.
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44
Molecular electrostatic potentials : concepts and applications /

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Corporate Authors: Elsevier Science & Technology.
Group Author: Murray, J. S. (Jane S.) (Editor); Sen, K. D. (Kali Das), 1948- (Editor)
Published: Elsevier,
Publication Dates: 1996.
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45
Pauling's legacy : modern modelling of the chemical bond /

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Corporate Authors: Elsevier Science & Technology.
Group Author: Maksic , Z. B. (Zvonimir B.) (Editor); Orville-Thomas, W. J., 1921- (Editor)
Published: Elsevier,
Publication Dates: 1999.
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46
Exploration on quantum chemical potential energy surfaces : towards the discovery of new chemistry /

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Main Authors: Ohno, Koichi (Author)
Group Author: Satoh, Hiroko
Published: Royal Society of Chemistry,
Publication Dates: [2023]
Call Number: O641.12/O38-1
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47
Non-covalent interactions theory and experiment

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Main Authors: Hobza Pavel.
Corporate Authors: Royal Society of Chemistry (Great Britain).
Group Author: Müller-Dethlefs Klaus.
Published: RSC Pub.,
Publication Dates: 2010.
Call Number: O641.3/H684
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48
In silico medicinal chemistry : computational methods to support drug design /

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Main Authors: Brown, Nathan (Medicinal chemist) (Author)
Corporate Authors: Royal Society of Chemistry (Great Britain)
Published: Royal Society of Chemistry,
Publication Dates: [2015]
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49
Theory of molecular collisions /

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Main Authors: Balint-Kurti, Gabriel G. (Author)
Corporate Authors: Royal Society of Chemistry (Great Britain)
Group Author: Palov, Alexander
Published: Royal Society of Chemistry,
Publication Dates: 2015.
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50
Computational techniques for analytical chemistry and bioanalysis /

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Group Author: Wilson, Philippe B. (Editor); Grootveld, Martin (Editor)
Published: Royal Society of Chemistry,
Publication Dates: [2021]
Call Number: O65-37/C738
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51
Knowledge-based expert systems in chemistry : artificial intelligence in decision making /

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Main Authors: Judson, Philip (Author)
Published: Royal Society of Chemistry,
Publication Dates: [2019]
Call Number: O6-39/J932-1/2nd ed.
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