Nobel Lecture: Quantum chemical models

Reviews of Modern Physics ◽

10.1103/revmodphys.71.1267 ◽

1999 ◽

Vol 71 (5) ◽

pp. 1267-1274 ◽

Author(s):

John A. Pople

Keyword(s):

Quantum Chemical ◽

Nobel Lecture ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text

ChemInform Abstract: Quantum Chemical Models (Nobel Lecture)

10.1002/chin.199942310 ◽

2010 ◽

Vol 30 (42) ◽

pp. no-no

Author(s):

John A. Pople

Keyword(s):

Quantum Chemical ◽

Nobel Lecture ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text

Quantum Chemical Models (Nobel Lecture)

Angewandte Chemie International Edition ◽

10.1002/(sici)1521-3773(19990712)38:13/14<1894::aid-anie1894>3.0.co;2-h ◽

1999 ◽

Vol 38 (13-14) ◽

pp. 1894-1902 ◽

Author(s):

John A. Pople

Keyword(s):

Quantum Chemical ◽

Nobel Lecture ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text

Quantum chemical models and electronic structure of active centers of heterogeneous polymerization of olefins

Journal of Structural Chemistry ◽

10.1007/bf02741598 ◽

2000 ◽

Vol 41 (2) ◽

pp. 318-328

Author(s):

I. I. Zakharov

Keyword(s):

Electronic Structure ◽

Quantum Chemical ◽

Active Centers ◽

Chemical Models ◽

Heterogeneous Polymerization ◽

Quantum Chemical Models

Download Full-text

Computational Tests of Quantum Chemical Models for Excited and Ionized States of Molecules with Phosphorus and Sulfur Atoms

The Journal of Physical Chemistry A ◽

10.1021/jp502462w ◽

2014 ◽

Vol 118 (19) ◽

pp. 3514-3524 ◽

Author(s):

David K. Hahn ◽

Krishans RaghuVeer ◽

J. V. Ortiz

Keyword(s):

Quantum Chemical ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text

Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules

Chemical Reviews ◽

10.1021/cr500606e ◽

2015 ◽

Vol 115 (12) ◽

pp. 5643-5677 ◽

Author(s):

Krishnan Raghavachari ◽

Arjun Saha

Keyword(s):

Quantum Chemical ◽

Large Molecules ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text

Quantum-chemical models of the molecular structures of open-chain and macrocyclic d-metal chelates with (N,O)- and (N,S)-donor polydentate ligands

Russian Journal of Inorganic Chemistry ◽

10.1134/s0036023617130058 ◽

2017 ◽

Vol 62 (13) ◽

pp. 1770-1787 ◽

Author(s):

O. V. Mikhailov

Keyword(s):

Quantum Chemical ◽

Metal Chelates ◽

Molecular Structures ◽

Polydentate Ligands ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text

Quantum chemical models of alkali metal hydroxide-water-dimethylsulfoxide superbasic media (MOH-H2O-DMSO, M = Li, Na, K)

Journal of Structural Chemistry ◽

10.1007/s10947-006-0231-x ◽

2005 ◽

Vol 46 (6) ◽

pp. 979-984 ◽

Author(s):

Yu. L. Frolov ◽

I. V. Guchik ◽

V. A. Shagun ◽

A. V. Vashchenko

Keyword(s):

Alkali Metal ◽

Quantum Chemical ◽

Alkali Metal Hydroxide ◽

Metal Hydroxide ◽

Chemical Models ◽

Superbasic Media ◽

Hydroxide Water ◽

Quantum Chemical Models

Download Full-text

Rotating full- and reduced-dimensional quantum chemical models of molecules

The Journal of Chemical Physics ◽

10.1063/1.3533950 ◽

2011 ◽

Vol 134 (7) ◽

pp. 074105 ◽

Author(s):

Csaba Fábri ◽

Edit Mátyus ◽

Attila G. Császár

Keyword(s):

Quantum Chemical ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text

Response to “Comment on ‘The hyperpolarizability of trans-butadiene: A critical test case for quantum chemical models’ ” [J. Chem. Phys. 108, 4355 (1998)]

The Journal of Chemical Physics ◽

10.1063/1.475846 ◽

1998 ◽

Vol 108 (10) ◽

pp. 4358-4360 ◽

Author(s):

Patrick Norman ◽

Yi Luo ◽

Dan Jonsson ◽

Hans Ågren

Keyword(s):

Quantum Chemical ◽

Chem Phys ◽

Test Case ◽

Critical Test ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text

Quantum-chemical models of the annealing of open shell carbon clusters during the synthesis of fullerenes

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024412010025 ◽

2011 ◽

Vol 86 (1) ◽

pp. 106-113 ◽

Author(s):

N. I. Alekseev ◽

V. A. Keskinov ◽

N. A. Charykov

Keyword(s):

Quantum Chemical ◽

Carbon Clusters ◽

Chemical Models ◽

Quantum Chemical Models

Download Full-text