Supercomputer Requirements for Theoretical Chemistry

ACS Symposium Series - Supercomputers in Chemistry ◽

10.1021/bk-1981-0173.ch003 ◽

1981 ◽

pp. 47-63

Author(s):

ROBERT B. WALKER ◽

P. JEFFREY HAY ◽

HAROLD W. GALBRAITH

Keyword(s):

Theoretical Chemistry

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Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods: Development and application on kinase inhibitors

Journal of Computational Chemistry ◽

10.1002/jcc.23303 ◽

2013 ◽

Vol 34 (19) ◽

pp. 1636-1646 ◽

Author(s):

Li Rao ◽

Igor Ying Zhang ◽

Wenping Guo ◽

Li Feng ◽

Eric Meggers ◽

...

Keyword(s):

First Principles ◽

Kinase Inhibitors ◽

Scoring Function ◽

Theoretical Chemistry ◽

Ligand Interaction ◽

Methods Development ◽

Protein Ligand Interaction

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Models and modeling in theoretical chemistry

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(88)80128-3 ◽

1988 ◽

Vol 179 (1) ◽

pp. 273-292 ◽

Author(s):

Jacopo Tomasi

Keyword(s):

Theoretical Chemistry ◽

Models And Modeling

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Chapter 3. Theoretical chemistry

Annual Reports Section B (Organic Chemistry) ◽

10.1039/oc9807700015 ◽

1980 ◽

Vol 77 ◽

pp. 15

Author(s):

H. S. Rzepa

Keyword(s):

Theoretical Chemistry

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Outlines of Theoretical Chemistry

Nature ◽

10.1038/111701e0 ◽

1923 ◽

Vol 111 (2795) ◽

pp. 701-701

Keyword(s):

Theoretical Chemistry

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Theoretical Chemistry, from the Standpoint of Avogadro's Rule, and Thermodynamics

Nature ◽

10.1038/051530a0 ◽

1895 ◽

Vol 51 (1327) ◽

pp. 530-532

Author(s):

M. M. PATTISON MUIR

Keyword(s):

Theoretical Chemistry

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W. Ekardt (ed): Metal clusters. (Wiley Series in Theoretical Chemistry)

Journal of Solid State Electrochemistry ◽

10.1007/s100080000136 ◽

2001 ◽

Vol 5 (3) ◽

pp. 227-227

Author(s):

W. Langel

Keyword(s):

Metal Clusters ◽

Theoretical Chemistry

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A Comprehensive Treatise on Inorganic and Theoretical Chemistry

Archives of Radiology and Electrotherapy ◽

10.1259/are.1922.0042 ◽

1922 ◽

Vol 27 (5) ◽

pp. 159-159 ◽

Author(s):

J. W. Mellor

Keyword(s):

Theoretical Chemistry ◽

Comprehensive Treatise

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Studies in physical and theoretical chemistry 79: Structure and dynamics of solutions

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(94)80129-0 ◽

1994 ◽

Vol 50 (1) ◽

pp. 187-188 ◽

Author(s):

J. Murrell

Keyword(s):

Theoretical Chemistry ◽

Structure And Dynamics

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Theoretical chemistry for chemical identification of the heaviest elements

Nuclear Physics A ◽

10.1016/j.nuclphysa.2006.12.059 ◽

2007 ◽

Vol 787 (1-4) ◽

pp. 381-387 ◽

Author(s):

V. Pershina ◽

T. Bastug ◽

J. Anton ◽

B. Fricke

Keyword(s):

Theoretical Chemistry ◽

Chemical Identification ◽

Heaviest Elements

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B. J. Berne (Ed.):Modern Theoretical Chemistry, Band 6:Statistical Mechanics, Part B:Time-Dependent Processes. Plenum Press, New York 1977. 362 Seiten, Preis: $ 47.40

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.197800143 ◽

1978 ◽

Vol 82 (6) ◽

pp. 667-667

Author(s):

M. Quack

Keyword(s):

New York ◽

Statistical Mechanics ◽

Theoretical Chemistry ◽

Dependent Processes

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