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2015, 1st ed. 2016, Highlights in Theoretical Chemistry, ISBN 9783662481479, Volume 9, 346
In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research highlights on major developments in the field... 
Chemistry, Physical organic | Theoretical and Computational Chemistry | Atomic/Molecular Structure and Spectra | Chemistry | Chemistry and Materials Science | Physical Chemistry | Chemistry, Physical and theoretical
eBook
2009, Cambridge molecular science, ISBN 9780521818322, Volume 9780521818322, xiii, 532
Written by two leading experts in the field, this book explores the 'many-body' methods that have become the dominant approach in determining molecular... 
Many-body problem | Quantum chemistry | Cluster theory (Nuclear physics) | Perturbation (Quantum dynamics)
Book
International journal of quantum chemistry, ISSN 0020-7608, 11/2011, Volume 111, Issue 13, pp. 3263 - 3266
The introduction, impact, and development of the direct configuration interaction (CI) approach are reviewed. The removal of the limitation on the size of CI... 
configuration interaction | electron correlation | direct CI | Mathematics, Interdisciplinary Applications | Quantum Science & Technology | Physical Sciences | Chemistry | Mathematics | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Wiley interdisciplinary reviews. Computational molecular science, ISSN 1759-0884, 01/2011, Volume 1, Issue 2, pp. 191 - 199
Journal Article
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, ISSN 1089-5639, 11/2009, Volume 113, Issue 45, pp. 12339 - 12342
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 01/2007, Volume 129, Issue 4, pp. 934 - 941
An empirically based relationship between overall complex stability (−ΔG°) and various possible component interactions is developed to probe the question of... 
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 01/2007, Volume 129, Issue 4, pp. 934 - 941
An empirically based relationship between overall complex stability (-Delta G degrees) and various possible component interactions is developed to probe the... 
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology
Journal Article
The Journal of chemical physics, ISSN 0021-9606, 10/2000, Volume 113, Issue 13, pp. 5321 - 5330
The energetics, structure, and vibrational spectra of a wide variety of H+(H2O)8 structures are calculated using density functional theory and second-order... 
HYDROGEN | ISOMERS | 08 HYDROGEN | ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY | SPECTRA | PROTONS | FUNCTIONALS
Journal Article
Molecular physics, ISSN 0026-8976, 05/1998, Volume 94, Issue 1, pp. 3 - 17
...MOLECULAR PHYSICS, 1998, VOL. 94, NO. 1, 3± 17 T he history and evolution of con® guration interaction By ISAIAH SHAVITT Department of Chemistry, Ohio State... 
Journal Article
International journal of molecular sciences, ISSN 1422-0067, 06/2002, Volume 3, Issue 6, pp. 639 - 655
...Int. J. Mol. Sci. 2002, 3, 639-655 Isaiah Shavitt Department of Chemistry, The Ohio State University, Columbus, Ohio 43210-1185, U.S.A., and Department... 
Biochemistry & Molecular Biology | Physical Sciences | Chemistry | Life Sciences & Biomedicine | Chemistry, Multidisciplinary | Science & Technology
Journal Article
International journal of molecular sciences, ISSN 1422-0067, 06/2002, Volume 3, Issue 6, pp. 639 - 655
Journal Article
The Journal of chemical physics, ISSN 0021-9606, 1998, Volume 109, Issue 13, pp. 5547 - 5564
Analytical potential models are designed for simulations of water with excess protons. The potentials describe both intramolecular and intermolecular... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
International journal of molecular sciences, ISSN 1422-0067, 06/2002, Volume 3, Issue 6, pp. 639 - 655
The formalism for multi-state multireference configuration-based Rayleigh-Schrödinger perturbation theory and procedures for its implementation for the... 
Perturbation theory | ab initio | multireference | avoided crossings | mixed states
Journal Article
The Journal of chemical physics, ISSN 0021-9606, 02/2003, Volume 118, Issue 8, pp. 3583 - 3588
Journal Article
International journal of quantum chemistry, ISSN 0020-7608, 2004, Volume 100, Issue 2, pp. 105 - 108
Journal Article
Tetrahedron, ISSN 0040-4020, 1985, Volume 41, Issue 8, pp. 1531 - 1542
The experimental and theoretical attempts to determine the equilibrium bond angle in the 3B 1 ground state and the 1A 1– 3B 1 energy gap between the lowest two... 
Journal Article
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