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There are 34116 results for: content related to: On the genesis of a theory

  1. Publication list

    International Journal of Quantum Chemistry

    Volume 49, Issue 3, 20 January 1994, Pages: 135–144, Robert G. Parr

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560490305

  2. Electronegativity, hardness, and a semiempirical density functional theory of chemical binding

    International Journal of Quantum Chemistry

    Volume 49, Issue 3, 20 January 1994, Pages: 239–251, Swapan K. Ghosh

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560490314

  3. Quantum fluid density functional theory of time-dependent processes

    International Journal of Quantum Chemistry

    Volume 69, Issue 3, 1998, Pages: 279–291, P. K. Chattaraj, S. Sengupta and A. Poddar

    Article first published online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1998)69:3<279::AID-QUA7>3.0.CO;2-S

  4. General and theoretical aspects of the [BOND]OH, [BOND]O[BOND] and [BOND]O[BOND]O[BOND] groups: Integration of theory and experiment

    Hydroxyl, Ether and Peroxide Groups (1993)

    Peter Politzer, Jane S. Murray, Pages: 1–39, 2010

    Published Online : 16 JAN 2010, DOI: 10.1002/9780470772515.ch1

  5. Hardness potential derivatives and their relation to Fukui indices

    Journal of Computational Chemistry

    Volume 34, Issue 8, 30 March 2013, Pages: 662–672, Soumen Saha, Rituparna Bhattacharjee and Ram Kinkar Roy

    Article first published online : 23 NOV 2012, DOI: 10.1002/jcc.23177

  6. Sensitivity analysis of charge transfer systems: In situ quantities, intersecting state model and its implications

    International Journal of Quantum Chemistry

    Volume 49, Issue 5, 15 February 1994, Pages: 675–703, Roman F. Nalewajski

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560490512

  7. Orbitally resolved charge sensitivity analysis: Basic concepts and relations

    International Journal of Quantum Chemistry

    Volume 43, Issue 3, 20 July 1992, Pages: 353–374, Roman F. Nalewajski and Janusz Mrozek

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560430306

  8. The virial theorem scaling model for estimating the charge sensitivities of hydrogens in molecules

    International Journal of Quantum Chemistry

    Volume 38, Issue 6, December 1990, Pages: 853–863, Marcin Streszewski and Roman F. Nalewajski

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560380607

  9. “The probable industrial origin of archaeological daub at an Iron Age site in northeast Thailand” (Parr and Boyd, 2002): A comment on the inappropriate application of geophysical and geochemical techniques to an archaeological question

    Geoarchaeology

    Volume 18, Issue 8, December 2003, Pages: 883–893, Maria Cotter and Stephen Cotter

    Article first published online : 7 NOV 2003, DOI: 10.1002/gea.10096

  10. Polynomial and Padé Representations for the Kinetic Component Tc[ρ] of the Correlation Energy Density Functional

    International Journal of Quantum Chemistry

    Volume 69, Issue 4, 1998, Pages: 513–522, Shubin Liu, Valentin Karasiev, Roberto López-Boada and Frank De Proft

    Article first published online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1998)69:4<513::AID-QUA8>3.0.CO;2-Y

  11. A density functional theory formulation of the reaction field model of solvent effects

    International Journal of Quantum Chemistry

    Volume 56, Issue 5, 5 December 1995, Pages: 433–444, Renato Cemtreras, Patricia Pérez and Arie Aizman

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560560503

  12. Reactivity and stability of aromatic carbonyl compounds using density functional theory-based local and global reactivity descriptors

    Journal of Physical Organic Chemistry

    Volume 12, Issue 6, June 1999, Pages: 503–509, R. K. Roy, K. Choho, F. De Proft and P. Geerlings

    Article first published online : 15 JUN 1999, DOI: 10.1002/(SICI)1099-1395(199906)12:6<503::AID-POC149>3.0.CO;2-2

  13. Molecular hardness and softness parameters and their use in chemistry

    International Journal of Quantum Chemistry

    Volume 34, Issue S22, 12/19 March 1988, Pages: 349–366, Roman F. Nalewajski, Jacek Korchowiec and Zhongxiang Zhou

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560340840

  14. Density Functional Theory

    Chemical Hardness

    Ralph G. Pearson, Pages: 29–58, 2005

    Published Online : 14 DEC 2005, DOI: 10.1002/3527606173.ch2

  15. A theoretical way of aiding the design of solid-state syntheses

    Advanced Materials

    Volume 4, Issue 7-8, July/August 1992, Pages: 514–521, Dr. Richard Dronskowski and Prof. Roald Hoffmann

    Article first published online : 29 OCT 2004, DOI: 10.1002/adma.19920040716

  16. Four-dimensional density and energy density functional

    International Journal of Quantum Chemistry

    Volume 25, Issue 4, April 1984, Pages: 637–644, Eugene S. Kryachko

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560250402

  17. Chemistry and electronegativity

    International Journal of Quantum Chemistry

    Volume 49, Issue 3, 20 January 1994, Pages: 253–277, Leland C. Allen

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560490315

  18. Group electronegativity and Fukui function studies of the substituent effects in aromatic and inorganic systems

    International Journal of Quantum Chemistry

    Volume 44, Issue 6, 5 December 1992, Pages: 1027–1040, J. Korchowiec and R. F. Nalewajski

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440607

  19. You have free access to this content
    A functional model for maximum growth of Atlantic Salmon parr, Salmo salar, from two populations in northwest England

    Functional Ecology

    Volume 11, Issue 5, October 1997, Pages: 592–603, J. M. ELLIOTT and M. A. HURLEY

    Article first published online : 30 OCT 2003, DOI: 10.1046/j.1365-2435.1997.00130.x

  20. Theory of variational calculation with a scaling correct moment functional to solve the electronic schrödinger equation directly for ground state one-electron density and electronic energy

    International Journal of Quantum Chemistry

    Volume 113, Issue 10, 15 May 2013, Pages: 1479–1492, Sandor Kristyan

    Article first published online : 18 OCT 2012, DOI: 10.1002/qua.24345