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Richard F. W. Bader - Publications

Affiliations: 
Chemistry McMaster University, Hamilton, ON, Canada 
Area:
Theoretical Investigations of Molecular Structure and Reactivity
Website:
http://www.chemistry.mcmaster.ca/bader/
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21 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2010 Bader RF. Definition of molecular structure: by choice or by appeal to observation? The Journal of Physical Chemistry. A. 114: 7431-44. PMID 20550157 DOI: 10.1021/Jp102748B  0.511
2009 Bader RF. Bond paths are not chemical bonds. The Journal of Physical Chemistry. A. 113: 10391-6. PMID 19722600 DOI: 10.1021/Jp906341R  0.449
2009 Brown EC, Bader RF, Werstiuk NH. QTAIM study on the degenerate cope rearrangements of 1,5-hexadiene and semibullvalene. The Journal of Physical Chemistry. A. 113: 3254-65. PMID 19275139 DOI: 10.1021/Jp8109385  0.468
2008 Bader RF. Nearsightedness of electronic matter as seen by a physicist and a chemist. The Journal of Physical Chemistry. A. 112: 13717-28. PMID 19032142 DOI: 10.1021/Jp806282J  0.449
2007 Bader RF. Everyman's derivation of the theory of atoms in molecules. The Journal of Physical Chemistry. A. 111: 7966-72. PMID 17629258 DOI: 10.1021/Jp073213K  0.437
2007 Hernández-Trujillo J, Cortés-Guzmán F, Fang DC, Bader RF. Forces in molecules. Faraday Discussions. 135: 79-95; discussion 12. PMID 17328425 DOI: 10.1039/B604996F  0.429
2007 Bader RF, Hernández-Trujillo J, Cortés-Guzmán F. Chemical bonding: from Lewis to atoms in molecules. Journal of Computational Chemistry. 28: 4-14. PMID 17061242 DOI: 10.1002/Jcc.20528  0.5
2006 Bader RF. Comment on the comparative use of the electron density and its Laplacian. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 7769-72; author repl. PMID 16969781 DOI: 10.1002/Chem.200600515  0.308
2006 Matta CF, Bader RF. An experimentalist's reply to "What is an atom in a molecule?". The Journal of Physical Chemistry. A. 110: 6365-71. PMID 16686473 DOI: 10.1021/Jp060761+  0.583
2006 Bader RF. Pauli repulsions exist only in the eye of the beholder. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 2896-901. PMID 16528768 DOI: 10.1002/Chem.200501589  0.464
2005 Bader RF, Fang DC. Properties of Atoms in Molecules:  Caged Atoms and the Ehrenfest Force. Journal of Chemical Theory and Computation. 1: 403-14. PMID 26641507 DOI: 10.1021/Ct049839L  0.51
2003 Matta CF, Bader RF. Atoms-in-molecules study of the genetically encoded amino acids. III. Bond and atomic properties and their correlations with experiment including mutation-induced changes in protein stability and genetic coding. Proteins. 52: 360-99. PMID 12866050 DOI: 10.1002/Prot.10414  0.59
2003 Matta CF, Hernández-Trujillo J, Tang TH, Bader RF. Hydrogen-hydrogen bonding: a stabilizing interaction in molecules and crystals. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 1940-51. PMID 12740840 DOI: 10.1002/Chem.200204626  0.601
2002 Matta CF, Bader RF. Atoms-in-molecules study of the genetically encoded amino acids. II. Computational study of molecular geometries. Proteins. 48: 519-38. PMID 12112676 DOI: 10.1002/Prot.10170  0.626
1996 Gillespie RJ, Bytheway I, Tang TH, Bader RF. Geometry of the Fluorides, Oxofluorides, Hydrides, and Methanides of Vanadium(V), Chromium(VI), and Molybdenum(VI): Understanding the Geometry of Non-VSEPR Molecules in Terms of Core Distortion. Inorganic Chemistry. 35: 3954-3963. PMID 11666589 DOI: 10.1021/Ic9514206  0.417
1988 Carroll MT, Bader RF. An analysis of the hydrogen bond in BASE-HF complexes using the theory of atoms in molecules Molecular Physics. 65: 695-722. DOI: 10.1080/00268978800101351  0.512
1988 Carroll MT, Chang C, Bader RF. Prediction of the structures of hydrogen-bonded complexes using the laplacian of the charge density Molecular Physics. 63: 387-405. DOI: 10.1080/00268978800100281  0.41
1982 Nguyen-Dang T, Bader R. A theory of molecular structure Physica a: Statistical Mechanics and Its Applications. 114: 68-73. DOI: 10.1016/0378-4371(82)90262-X  0.323
1975 Runtz G, Bader R. Virial partitioning of BH3 and BF3 and their Lewis adducts Molecular Physics. 30: 129-146. DOI: 10.1080/00268977500101821  0.38
1975 Bader R, Runtz G. Virial partitioning of polyatomic systems Molecular Physics. 30: 117-128. DOI: 10.1080/00268977500101811  0.405
1970 Bader R, Gangi R. The lowest singlet and triplet potential surfaces of H2O Chemical Physics Letters. 6: 312-316. DOI: 10.1016/0009-2614(70)85083-7  0.306
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