-
1
-
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0040740097
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Optimization and analysis of energy hypersurfaces
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Reidel, New York
-
P.G. Mezey, Optimization and analysis of energy hypersurfaces, in: Computational Theoretical Organic Chemistry (Reidel, New York, 1981) pp. 101-128.
-
(1981)
Computational Theoretical Organic Chemistry
, pp. 101-128
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-
Mezey, P.G.1
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2
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-
33748761274
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Catchment region partitioning of energy hypersurfaces, I
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P.G. Mezey, Catchment region partitioning of energy hypersurfaces, I, Theor. Chim. Acta 58 (1981) 309-330.
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(1981)
Theor. Chim. Acta
, vol.58
, pp. 309-330
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Mezey, P.G.1
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3
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-
84983967465
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The isoelectronic and isoprotonic energy hypersurface and the topology of the nuclear charge space
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P.G. Mezey, The isoelectronic and isoprotonic energy hypersurface and the topology of the nuclear charge space, Internat. J. Quantum Chem. Symp. 15 (1981) 279-285.
-
(1981)
Internat. J. Quantum Chem. Symp.
, vol.15
, pp. 279-285
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-
Mezey, P.G.1
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5
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0007249034
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Critical level topology of energy hypersurfaces
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P.G. Mezey, Critical level topology of energy hypersurfaces, Theor. Chim. Acta 60 (1981) 97-110.
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(1981)
Theor. Chim. Acta
, vol.60
, pp. 97-110
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-
Mezey, P.G.1
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6
-
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0007254634
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Lower and upper bounds for the number of critical points on energy hypersurfaces
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P.G. Mezey, Lower and upper bounds for the number of critical points on energy hypersurfaces, Chem. Phys. Letters 82 (1981) 100-104; 86 (1982) 562.
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(1981)
Chem. Phys. Letters
, vol.82
, pp. 100-104
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-
Mezey, P.G.1
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7
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49049134586
-
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P.G. Mezey, Lower and upper bounds for the number of critical points on energy hypersurfaces, Chem. Phys. Letters 82 (1981) 100-104; 86 (1982) 562.
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(1982)
Chem. Phys. Letters
, vol.86
, pp. 562
-
-
-
8
-
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0007177445
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The symmetry of electronic energy level sets and total energy relations in the abstract nuclear charge space
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P.G. Mezey, The symmetry of electronic energy level sets and total energy relations in the abstract nuclear charge space, Mol. Phys. 47 (1982) 121-126.
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(1982)
Mol. Phys.
, vol.47
, pp. 121-126
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-
Mezey, P.G.1
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9
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0042140632
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Topology of energy hypersurfaces
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P.G. Mezey, Topology of energy hypersurfaces, Theor. Chim. Acta 62 (1982) 133-161.
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(1982)
Theor. Chim. Acta
, vol.62
, pp. 133-161
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-
Mezey, P.G.1
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10
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0007190862
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Level set topologies and convexity relations for Hamiltonians with linear parameters
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P.G. Mezey, Level set topologies and convexity relations for Hamiltonians with linear parameters, Chem. Phys. Letters 87 (1982) 277-279.
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(1982)
Chem. Phys. Letters
, vol.87
, pp. 277-279
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-
Mezey, P.G.1
-
11
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84984016680
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Level set topology of the nuclear charge space and the electronic energy functional
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P.G. Mezey, Level set topology of the nuclear charge space and the electronic energy functional, Internat. J. Quantum Chem. 22 (1982) 101-114.
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(1982)
Internat. J. Quantum Chem.
, vol.22
, pp. 101-114
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-
Mezey, P.G.1
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12
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0007181424
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Quantum chemical reaction networks, reaction graphs and structure of potential energy hypersurfaces
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P.G. Mezey, Quantum chemical reaction networks, reaction graphs and structure of potential energy hypersurfaces, Theor. Chim. Acta 60 (1982) 409-428.
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(1982)
Theor. Chim. Acta
, vol.60
, pp. 409-428
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Mezey, P.G.1
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13
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0007181425
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Reaction topology: Manifold theory of potential surfaces and quantum chemical synthesis design
-
ed. R.B. King (Elsevier, Amsterdam)
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P.G. Mezey, Reaction topology: manifold theory of potential surfaces and quantum chemical synthesis design, in: Chemical Applications of Topology and Graph Theory, ed. R.B. King (Elsevier, Amsterdam, 1983) pp. 75-98.
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(1983)
Chemical Applications of Topology and Graph Theory
, pp. 75-98
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Mezey, P.G.1
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14
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84990631920
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An approach to conformation analysis on multidimensional potential surfaces
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P.G. Mezey, An approach to conformation analysis on multidimensional potential surfaces, Internat. J. Quantum Chem., Quant. Biol. Symp. 10 (1983) 153-160.
-
(1983)
Internat. J. Quantum Chem., Quant. Biol. Symp.
, vol.10
, pp. 153-160
-
-
Mezey, P.G.1
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15
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-
84990635999
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Inequalities and homotopy relations in reaction topology
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P.G. Mezey, Inequalities and homotopy relations in reaction topology, Internat. J. Quantum Chem., Quant. Chem. Symp. 17 (1983) 453-460.
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(1983)
Internat. J. Quantum Chem., Quant. Chem. Symp.
, vol.17
, pp. 453-460
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Mezey, P.G.1
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16
-
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84990709635
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The differentiable manifold model of quantum chemical reaction networks
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P.G. Mezey, The differentiable manifold model of quantum chemical reaction networks, Internat. J. Quantum Chem., Quant. Chem. Symp. 17 (1983) 137-152.
-
(1983)
Internat. J. Quantum Chem., Quant. Chem. Symp.
, vol.17
, pp. 137-152
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-
Mezey, P.G.1
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17
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36749115740
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Classification schemes of nuclear geometries and the concept of chemical structure. Metric spaces of chemical structure sets over potential energy hypersurfaces
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P.G. Mezey, Classification schemes of nuclear geometries and the concept of chemical structure. Metric spaces of chemical structure sets over potential energy hypersurfaces, J. Chem. Phys. 78 (1983) 6182-6186.
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(1983)
J. Chem. Phys.
, vol.78
, pp. 6182-6186
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Mezey, P.G.1
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18
-
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84990632011
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A molecular geometry invariant property of energy level set boundaries in Z-space
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P.G. Mezey, A molecular geometry invariant property of energy level set boundaries in Z-space, Internat. J. Quantum Chem. 24 (1983) 523-526.
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(1983)
Internat. J. Quantum Chem.
, vol.24
, pp. 523-526
-
-
Mezey, P.G.1
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19
-
-
33749587798
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The topology of energy hypersurfaces. II. Reaction topology in Euclidean spaces
-
P.G. Mezey, The topology of energy hypersurfaces. II. Reaction topology in Euclidean spaces, Theor. Chim. Acta 63 (1983) 9-33.
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(1983)
Theor. Chim. Acta
, vol.63
, pp. 9-33
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-
Mezey, P.G.1
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20
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0007320210
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Molecular structure and reaction mechanism: A topological approach to quantum chemistry
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volume dedicated to Nobel Laureate Prof. K. Fukui
-
P.G. Mezey, Molecular structure and reaction mechanism: a topological approach to quantum chemistry, J. Mol. Struct. Theochem 103 (1983) 81-99 (volume dedicated to Nobel Laureate Prof. K. Fukui).
-
(1983)
J. Mol. Struct. Theochem
, vol.103
, pp. 81-99
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-
Mezey, P.G.1
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21
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0007254726
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Reaction topology of excited state potential energy hypersurfaces
-
volume dedicated to Prof. H. Gunning
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P.G. Mezey, Reaction topology of excited state potential energy hypersurfaces, Canad. J. Chem. 61 (1983) 956-961 (volume dedicated to Prof. H. Gunning).
-
(1983)
Canad. J. Chem.
, vol.61
, pp. 956-961
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-
Mezey, P.G.1
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22
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0007257045
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The topological model of non-rigid molecules and reaction mechanisms
-
eds. J. Maruani and J. Serre (Elsevier, Amsterdam)
-
P.G. Mezey, The topological model of non-rigid molecules and reaction mechanisms, in: Symmetries and Properties of Non-Rigid Molecules: A Comprehensive Survey, eds. J. Maruani and J. Serre (Elsevier, Amsterdam, 1983) pp. 335-353.
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(1983)
Symmetries and Properties of Non-rigid Molecules: A Comprehensive Survey
, pp. 335-353
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-
Mezey, P.G.1
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23
-
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0007315286
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Topology of doublet potential surfaces
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P.G. Mezey, Topology of doublet potential surfaces, Bull. Soc. Chim. Belg. 92 (1983) 555.
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(1983)
Bull. Soc. Chim. Belg.
, vol.92
, pp. 555
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-
Mezey, P.G.1
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24
-
-
84987156821
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A general formulation of the "quantum chemical Le Chatelier principle"
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P.G. Mezey, A general formulation of the "quantum chemical Le Chatelier principle", Internat. J. Quant. Chem. 25 (1984) 853-861.
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(1984)
Internat. J. Quant. Chem.
, vol.25
, pp. 853-861
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-
Mezey, P.G.1
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25
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84987142347
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The hyperspherical coordinate representation of potential surfaces of large molecules
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P.G. Mezey, The hyperspherical coordinate representation of potential surfaces of large molecules, Internat. J. Quantum Chem., Quant. Biol. Symp. 11 (1984) 267-272.
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(1984)
Internat. J. Quantum Chem., Quant. Biol. Symp.
, vol.11
, pp. 267-272
-
-
Mezey, P.G.1
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26
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0007190863
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The algebraic structure of quantum-chemical reaction mechanisms
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P.G. Mezey, The algebraic structure of quantum-chemical reaction mechanisms, Internat. J. Quantum Chem. Symp. 18 (1984) 77-85.
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(1984)
Internat. J. Quantum Chem. Symp.
, vol.18
, pp. 77-85
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-
Mezey, P.G.1
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27
-
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84987089976
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Network relations on potential surfaces as aids to computer-based quantum chemical synthesis planning
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P.G. Mezey, Network relations on potential surfaces as aids to computer-based quantum chemical synthesis planning, Internat. J. Quantum Chem. Symp. 18 (1984) 675-681.
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(1984)
Internat. J. Quantum Chem. Symp.
, vol.18
, pp. 675-681
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-
Mezey, P.G.1
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28
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84987068017
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The metric properties of the reduced nuclear configuration space
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P.G. Mezey, The metric properties of the reduced nuclear configuration space, Internat. J. Quantum Chem. 26 (1984) 983-985.
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(1984)
Internat. J. Quantum Chem.
, vol.26
, pp. 983-985
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Mezey, P.G.1
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29
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0007307279
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Constraints on electronic energy hypersurfaces of higher multiplicities
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P.G. Mezey, Constraints on electronic energy hypersurfaces of higher multiplicities, J. Chem. Phys. 80 (1984) 5055-5057.
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(1984)
J. Chem. Phys.
, vol.80
, pp. 5055-5057
-
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Mezey, P.G.1
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30
-
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0007181427
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Simple lower and upper bounds for isomerization energies
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P.G. Mezey, Simple lower and upper bounds for isomerization energies, Canad. J. Chem. 62 (1984) 1356-1357.
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(1984)
Canad. J. Chem.
, vol.62
, pp. 1356-1357
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Mezey, P.G.1
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31
-
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0007257314
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The reaction polyhedron and group theory of reaction mechanisms
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P.G. Mezey, The reaction polyhedron and group theory of reaction mechanisms, Internat. J. Quantum Chem., Quant. Chem. Symp. 19 (1985) 93-105.
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(1985)
Internat. J. Quantum Chem., Quant. Chem. Symp.
, vol.19
, pp. 93-105
-
-
Mezey, P.G.1
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32
-
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0007247765
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A simple relation between nuclear charges and potential surfaces
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P.G. Mezey, A simple relation between nuclear charges and potential surfaces, J. Amer. Chem. Soc. 107 (1985) 3100-3105.
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(1985)
J. Amer. Chem. Soc.
, vol.107
, pp. 3100-3105
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Mezey, P.G.1
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33
-
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0037980622
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New global constraints on electronic energy hypersurfaces
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P.G. Mezey, New global constraints on electronic energy hypersurfaces, Internat. J. Quantum Chem. 29 (1986) 85-99.
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(1986)
Internat. J. Quantum Chem.
, vol.29
, pp. 85-99
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Mezey, P.G.1
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34
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0007191870
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Cluster topology and bounds for the electronic energy
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P.G. Mezey, Cluster topology and bounds for the electronic energy, Surface Science 156 (1985) 597-604.
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(1985)
Surface Science
, vol.156
, pp. 597-604
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Mezey, P.G.1
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35
-
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84987063978
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A comparison of two group theoretical models of reaction mechanisms on potential surfaces
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P.G. Mezey, A comparison of two group theoretical models of reaction mechanisms on potential surfaces, Internat. J. Quantum Chem. 28 (1985) 387-398.
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(1985)
Internat. J. Quantum Chem.
, vol.28
, pp. 387-398
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Mezey, P.G.1
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36
-
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0007185069
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Group theory of constrained reaction mechanisms
-
volume dedicated to Prof. C. Sandorfy
-
P.G. Mezey, Group theory of constrained reaction mechanisms, Canad. J. Chem. 63 (1985) 1972-1975 (volume dedicated to Prof. C. Sandorfy).
-
(1985)
Canad. J. Chem.
, vol.63
, pp. 1972-1975
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Mezey, P.G.1
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37
-
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0007252337
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Catchment regions as "molecular loges" on potential energy hypersurfaces
-
volume dedicated to Prof. R. Daudel
-
P.G. Mezey, Catchment regions as "molecular loges" on potential energy hypersurfaces, J. Mol. Structure, Theochem 123 (1985) 171-177 (volume dedicated to Prof. R. Daudel).
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(1985)
J. Mol. Structure, Theochem
, vol.123
, pp. 171-177
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Mezey, P.G.1
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38
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0007177446
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Topological model of reaction mechanisms
-
eds. R. Daudel, J.-P. Korb, J.-P. Lemaistre and J. Maruani (Reidel, Dordrecht)
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P.G. Mezey, Topological model of reaction mechanisms, in: Structure and Dynamics of Molecular Systems, Vol. I., eds. R. Daudel, J.-P. Korb, J.-P. Lemaistre and J. Maruani (Reidel, Dordrecht, 1985) pp. 57-70.
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(1985)
Structure and Dynamics of Molecular Systems
, vol.1
, pp. 57-70
-
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Mezey, P.G.1
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39
-
-
0007177446
-
Topological theory of molecular conformations
-
eds. R. Daudel, J.-P. Korb, J.-P. Lemaistre and J. Maruani (Reidel, Dordrecht)
-
P.G. Mezey, Topological theory of molecular conformations, in: Structure and Dynamics of Molecular Systems, Vol. I., eds. R. Daudel, J.-P. Korb, J.-P. Lemaistre and J. Maruani (Reidel, Dordrecht, 1985) pp. 41-56.
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(1985)
Structure and Dynamics of Molecular Systems
, vol.1
, pp. 41-56
-
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Mezey, P.G.1
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40
-
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0007190865
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The topology of energy hypersurfaces. III. The fundamental group of reaction mechanisms on potential energy hypersurfaces
-
P.G. Mezey, The topology of energy hypersurfaces. III. The fundamental group of reaction mechanisms on potential energy hypersurfaces, Theor. Chim. Acta 67 (1985) 43-61.
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(1985)
Theor. Chim. Acta
, vol.67
, pp. 43-61
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-
Mezey, P.G.1
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41
-
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0007320211
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The topology of energy hypersurfaces. IV. Generator sets for the fundamental group of reaction mechanism and the complete set of reaction paths
-
P.G. Mezey, The topology of energy hypersurfaces. IV. Generator sets for the fundamental group of reaction mechanism and the complete set of reaction paths, Theor. Chim. Acta 67 (1985) 91-113.
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(1985)
Theor. Chim. Acta
, vol.67
, pp. 91-113
-
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Mezey, P.G.1
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42
-
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0007260297
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The topology of energy hypersurfaces. V. Potential defying chemical species: A global analysis of vibrational stabilization and destabilization on potential energy hypersurfaces
-
P.G. Mezey, The topology of energy hypersurfaces. V. Potential defying chemical species: a global analysis of vibrational stabilization and destabilization on potential energy hypersurfaces, Theor. Chim. Acta 67 (1985) 115-136.
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(1985)
Theor. Chim. Acta
, vol.67
, pp. 115-136
-
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Mezey, P.G.1
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43
-
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0007320276
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Reaction topology
-
eds. V.H. Smith, Jr., H.F. Schaefer III and K. Morokuma, (Reidel, Dordrecht)
-
P.G. Mezey, Reaction topology, in: Applied Quantum Chemistry, Proceedings of the Hawaii 1985 Nobel Laureate Symposium on Applied Quantum Chemistry, eds. V.H. Smith, Jr., H.F. Schaefer III and K. Morokuma, (Reidel, Dordrecht, 1986) pp. 53-74.
-
(1986)
Applied Quantum Chemistry, Proceedings of the Hawaii 1985 Nobel Laureate Symposium on Applied Quantum Chemistry
, pp. 53-74
-
-
Mezey, P.G.1
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44
-
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84987138263
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Nuclear charges and molecular total energies: A rule on nested reaction globes
-
P.G. Mezey, Nuclear charges and molecular total energies: a rule on nested reaction globes, Internat. J. Quantum Chem. 29 (1986) 333-343.
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(1986)
Internat. J. Quantum Chem.
, vol.29
, pp. 333-343
-
-
Mezey, P.G.1
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45
-
-
0007254638
-
Differential and algebraic topology of chemical potential surfaces
-
ed. N. Trinajstic (Ellis Horwood, Chichester, UK) chapter 19
-
P.G. Mezey, Differential and algebraic topology of chemical potential surfaces, in: Mathematics and Computational Concepts in Chemistry, ed. N. Trinajstic (Ellis Horwood, Chichester, UK, 1986) chapter 19, pp. 208-221.
-
(1986)
Mathematics and Computational Concepts in Chemistry
, pp. 208-221
-
-
Mezey, P.G.1
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46
-
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0007318642
-
Theory of reaction mechanisms and molecular design
-
P.G. Mezey, Theory of reaction mechanisms and molecular design, J. Mol. Struct. Theochem 138 (1986) 13-21.
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(1986)
J. Mol. Struct. Theochem
, vol.138
, pp. 13-21
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Mezey, P.G.1
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47
-
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84987064295
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Reflection properties of reaction paths in the reduced nuclear configuration space
-
P.G. Mezey, Reflection properties of reaction paths in the reduced nuclear configuration space, Internat. J. Quantum Chem. Symp. 21 (1987) 191-198.
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(1987)
Internat. J. Quantum Chem. Symp.
, vol.21
, pp. 191-198
-
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Mezey, P.G.1
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50
-
-
0007259732
-
Global analysis and group theory of reaction mechanisms
-
volume dedicated to Nobel Laureate Prof. G. Herzberg
-
P.G. Mezey, Global analysis and group theory of reaction mechanisms, J. Mol. Struct. Theochem 149 (1987) 57-66 (volume dedicated to Nobel Laureate Prof. G. Herzberg).
-
(1987)
J. Mol. Struct. Theochem
, vol.149
, pp. 57-66
-
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Mezey, P.G.1
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52
-
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0007309934
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Symmetry and periodicity of potential surfaces: A test for multicenter interactions
-
P.G. Mezey, Symmetry and periodicity of potential surfaces: a test for multicenter interactions, Theor. Chim. Acta 73 (1988) 221-228.
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(1988)
Theor. Chim. Acta
, vol.73
, pp. 221-228
-
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Mezey, P.G.1
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53
-
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0023982024
-
Embedding and characterization of quantum chemical reaction graphs on two-dimensional orientable surfaces
-
F. Harary and P.G. Mezey, Embedding and characterization of quantum chemical reaction graphs on two-dimensional orientable surfaces, Discrete Appl. Math. 19 (1988) 205-214.
-
(1988)
Discrete Appl. Math.
, vol.19
, pp. 205-214
-
-
Harary, F.1
Mezey, P.G.2
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54
-
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84990699624
-
Shape description of conformationally flexible molecules: Application to two-dimensional conformational problems
-
G.A. Arteca and P.G. Mezey, Shape description of conformationally flexible molecules: application to two-dimensional conformational problems, Internat. J. Quantum Chem., Quant. Biol. Symp. 15 (1988) 33-54.
-
(1988)
Internat. J. Quantum Chem., Quant. Biol. Symp.
, vol.15
, pp. 33-54
-
-
Arteca, G.A.1
Mezey, P.G.2
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55
-
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84988074866
-
Validity of the Hammond postulate and constraints on general one-dimensional barriers
-
G.A. Arteca and P.G. Mezey, Validity of the Hammond postulate and constraints on general one-dimensional barriers, J. Comput. Chem. 9 (1988) 728-744.
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(1988)
J. Comput. Chem.
, vol.9
, pp. 728-744
-
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Arteca, G.A.1
Mezey, P.G.2
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56
-
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0002989856
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From geometrical molecules to topological molecules: A quantum mechanical view
-
ed. J. Maruani (Reidel, Dordrecht) chapter 2
-
P.G. Mezey, From geometrical molecules to topological molecules: a quantum mechanical view, in: Molecules in Physics, Chemistry and Biology, Vol. II, ed. J. Maruani (Reidel, Dordrecht, 1988) chapter 2, pp. 61-81.
-
(1988)
Molecules in Physics, Chemistry and Biology
, vol.2
, pp. 61-81
-
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Mezey, P.G.1
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57
-
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0007318643
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Reaction topology and quantum chemical molecular design on potential energy surfaces
-
eds. J. Bertran and I.G. Csizmadia, Nato ASI Series (Kluwer Academic, Dordrecht)
-
P.G. Mezey, Reaction topology and quantum chemical molecular design on potential energy surfaces, in: New Theoretical Concepts for Understanding Organic Reactions, eds. J. Bertran and I.G. Csizmadia, Nato ASI Series (Kluwer Academic, Dordrecht, 1989) pp. 55-76.
-
(1989)
New Theoretical Concepts for Understanding Organic Reactions
, pp. 55-76
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Mezey, P.G.1
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58
-
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0000992272
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Rotation-independent conjugation of sulfur-nitrogen bonds
-
P.G. Mezey and H. Flakus, Rotation-independent conjugation of sulfur-nitrogen bonds, J. Mol. Struct. Theochem 186 (1989) 117-129.
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(1989)
J. Mol. Struct. Theochem
, vol.186
, pp. 117-129
-
-
Mezey, P.G.1
Flakus, H.2
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59
-
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0642373774
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Molecular similarity and molecular shape changes along reaction paths: A topological analysis and consequences on the Hammond postulate
-
G.A. Arteca and P.G. Mezey, Molecular similarity and molecular shape changes along reaction paths: a topological analysis and consequences on the Hammond postulate, J. Phys. Chem. 93 (1989) 4746-4751.
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(1989)
J. Phys. Chem.
, vol.93
, pp. 4746-4751
-
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Arteca, G.A.1
Mezey, P.G.2
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60
-
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84987143317
-
Molecular point symmetry and the phase of the electronic wavefunction; Tools for the prediction of critical points of potential energy surfaces
-
P.G. Mezey, Molecular point symmetry and the phase of the electronic wavefunction; Tools for the prediction of critical points of potential energy surfaces, Internat. J. Quantum Chem. 38 (1990) 699-711.
-
(1990)
Internat. J. Quantum Chem.
, vol.38
, pp. 699-711
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Mezey, P.G.1
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61
-
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0002943057
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Point symmetry groups of all distorted configurations of a molecule form a lattice
-
P.G. Mezey, Point symmetry groups of all distorted configurations of a molecule form a lattice, J. Math. Chem. 4 (1990) 377-381.
-
(1990)
J. Math. Chem.
, vol.4
, pp. 377-381
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Mezey, P.G.1
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62
-
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84987071685
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A quantitative approach to structural similarity from molecular topology of reaction paths
-
G.A. Arteca and P.G. Mezey, A quantitative approach to structural similarity from molecular topology of reaction paths, Internat. J. Quantum Chem. Symp. 24 (1990) 1-13.
-
(1990)
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Comparison of potential energy maps and molecular shape invariance maps for two-dimensional conformational problems
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G.A. Arteca, G.A. Heal and P.G. Mezey, Comparison of potential energy maps and molecular shape invariance maps for two-dimensional conformational problems, Theor. Chim. Acta 76 (1990) 377-390.
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Theor. Chim. Acta
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Analysis of molecular shape changes along reaction paths
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G.A. Arteca and P.G. Mezey, Analysis of molecular shape changes along reaction paths, Internat. J. Quantum Chem. 38 (1990) 713-726.
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(1990)
Internat. J. Quantum Chem.
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65
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0002109496
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Non-visual molecular shape analysis: Shape changes in electronic excitations and chemical reactions
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eds. C. Ogretir and I.G. Csizmadia, Nato ASI Series (Kluwer Academic, Dordrecht)
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P.G. Mezey, Non-visual molecular shape analysis: shape changes in electronic excitations and chemical reactions, in: Computational Advances in Organic Chemistry (Molecular Structure and Reactivity), eds. C. Ogretir and I.G. Csizmadia, Nato ASI Series (Kluwer Academic, Dordrecht, 1991) pp. 261-288.
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(1991)
Computational Advances in Organic Chemistry (Molecular Structure and Reactivity)
, pp. 261-288
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Mezey, P.G.1
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66
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0000870923
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Energy and shape analysis along reaction paths of chemical reactions. The case of hydrogen-deuterium exchange
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G.A. Arteca and P.G. Mezey, Energy and shape analysis along reaction paths of chemical reactions. The case of hydrogen-deuterium exchange, J. Mol. Structure Theochem 230 (1991) 323-338.
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(1991)
J. Mol. Structure Theochem
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, pp. 323-338
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68
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0000368254
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Configurational dependence of molecular shape
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G.A. Arteca and P.G. Mezey, Configurational dependence of molecular shape, J. Math. Chem 10 (1992) 329-371.
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(1992)
J. Math. Chem
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Arteca, G.A.1
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69
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84987093716
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A global characterization and similarity analysis of two-dimensional potential energy surfaces
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X. Luo and P.G. Mezey, A global characterization and similarity analysis of two-dimensional potential energy surfaces, Internat. J. Quantum Chem. 41 (1992) 557-579.
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(1992)
Internat. J. Quantum Chem.
, vol.41
, pp. 557-579
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Luo, X.1
Mezey, P.G.2
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70
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0001678570
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Similarities between the effects of configurational changes and applied electric fields on the shape of electron densities
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special volume on "Electrostatics in Molecules", eds. G. Náray-Szabó and W.J. Orwille Thomas
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G.A. Arteca and P.G. Mezey, Similarities between the effects of configurational changes and applied electric fields on the shape of electron densities, J. Mol. Struct. Theochem 256 (1992) 125-134 (special volume on "Electrostatics in Molecules", eds. G. Náray-Szabó and W.J. Orwille Thomas).
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(1992)
J. Mol. Struct. Theochem
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, pp. 125-134
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Arteca, G.A.1
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71
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Shape similarity and shape stability along reaction paths. The case of the PPO → OPP isomerization
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X. Luo, G.A. Arteca and P.G. Mezey, Shape similarity and shape stability along reaction paths. The case of the PPO → OPP isomerization, Internat. J. Quantum Chem. 42 (1992) 459-474.
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(1992)
Internat. J. Quantum Chem.
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, pp. 459-474
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Luo, X.1
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72
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0001558341
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On the allowed symmetries of all distorted forms of conformers, molecules, and transition structures
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special issue dedicated to Prof. S. Huzinaga
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P.G. Mezey, On the allowed symmetries of all distorted forms of conformers, molecules, and transition structures, Canad. J. Chem. 70 (1992) 343-347 (special issue dedicated to Prof. S. Huzinaga).
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(1992)
Canad. J. Chem.
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, pp. 343-347
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Mezey, P.G.1
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73
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0002614902
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Dynamic shape analysis of biomolecules using topological shape codes
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ed. J. Bertran (Kluwer Academic, Dordrecht)
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P.G. Mezey, Dynamic shape analysis of biomolecules using topological shape codes, in: The Role of Computational Models and Theories in Biotechnology, ed. J. Bertran (Kluwer Academic, Dordrecht, 1992) pp. 83-104.
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(1992)
The Role of Computational Models and Theories in Biotechnology
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Mezey, P.G.1
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74
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84990668384
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Relations among functional groups within a stoichiometry: A nuclear configuration space approach
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J.-E. Dubois and P.G. Mezey, Relations among functional groups within a stoichiometry: a nuclear configuration space approach, Internat. J. Quantum Chem. 43 (1992) 647-658.
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(1992)
Internat. J. Quantum Chem.
, vol.43
, pp. 647-658
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Dubois, J.-E.1
Mezey, P.G.2
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75
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84990652760
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The fundamental syntopy of quasi-symmetric systems: Geometric criteria and the underlying syntopy of a nuclear configuration space
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P.G. Mezey and J. Maruani, The fundamental syntopy of quasi-symmetric systems: geometric criteria and the underlying syntopy of a nuclear configuration space, Internat. J. Quantum Chem. 45 (1993) 177-187.
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(1993)
Internat. J. Quantum Chem.
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, pp. 177-187
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Mezey, P.G.1
Maruani, J.2
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76
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21144459860
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Dynamic shape analysis of molecules in restricted domains of a configuration space
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P.G. Mezey, Dynamic shape analysis of molecules in restricted domains of a configuration space, J. Math. Chem. 13 (1993) 59-70.
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(1993)
J. Math. Chem.
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Mezey, P.G.1
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77
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21144474880
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New rules on potential surface topology and critical point search
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P.G. Mezey, New rules on potential surface topology and critical point search, J. Math. Chem. 14 (1993) 79-90.
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(1993)
J. Math. Chem.
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, pp. 79-90
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Mezey, P.G.1
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78
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0002886853
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Discrete representations of three-dimensional molecular bodies and their shape changes in chemical reactions
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eds. D. Bonchev and O. Mekenyan (Kluwer Academic, Dordrecht, The Netherlands)
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P.G. Mezey, Discrete representations of three-dimensional molecular bodies and their shape changes in chemical reactions, in: Graph Theoretical Approaches to Chemical Reactivity, eds. D. Bonchev and O. Mekenyan (Kluwer Academic, Dordrecht, The Netherlands, 1994) pp. 181-208.
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(1994)
Graph Theoretical Approaches to Chemical Reactivity
, pp. 181-208
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Mezey, P.G.1
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79
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0004023554
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From reaction path to reaction mechanism: Fundamental groups and symmetry rules
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ed. D. Heidrich (Kluwer Academic, Dordrecht)
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P.G. Mezey, From reaction path to reaction mechanism: fundamental groups and symmetry rules, in: Reaction Path in Chemistry, ed. D. Heidrich (Kluwer Academic, Dordrecht, 1995) pp. 11-38.
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(1995)
Reaction Path in Chemistry
, pp. 11-38
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Mezey, P.G.1
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80
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84986495474
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Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2-phenyl pyrimidine
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P.D. Walker, P.G. Mezey, G.M. Maggiora, M.A. Johnson and J.D. Petke, Application of the shape group method to conformational processes: shape and conjugation changes in the conformers of 2-phenyl pyrimidine, J. Comput. Chem. 16 (1995) 1474-1482.
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J. Comput. Chem.
, vol.16
, pp. 1474-1482
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Walker, P.D.1
Mezey, P.G.2
Maggiora, G.M.3
Johnson, M.A.4
Petke, J.D.5
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81
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0007191875
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Two symmetry constraints on the identity and deformations of chemical species
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P.G. Mezey, Two symmetry constraints on the identity and deformations of chemical species, J. Phys. Chem. 99 (1995) 4947-4954.
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(1995)
J. Phys. Chem.
, vol.99
, pp. 4947-4954
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Mezey, P.G.1
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82
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0002911076
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Molecular similarity measures of conformational changes and electron density deformations
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P.G. Mezey, Molecular similarity measures of conformational changes and electron density deformations, Advances in Molecular Similarity 1 (1996) 89-120.
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(1996)
Advances in Molecular Similarity
, vol.1
, pp. 89-120
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Mezey, P.G.1
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83
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0000961242
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Averaged electron densities for averaged conformations
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P.G. Mezey, Averaged electron densities for averaged conformations, J. Comput. Chem. 19 (1998) 1337-1344.
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J. Comput. Chem.
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, pp. 1337-1344
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Mezey, P.G.1
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84
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0033441286
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The topology of catchment regions of potential energy hypersurfaces
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P.G. Mezey, The topology of catchment regions of potential energy hypersurfaces, Theor. Chem. Acc. 102 (1999) 279-284.
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Theor. Chem. Acc.
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Mezey, P.G.1
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85
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0007307280
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A treatment of small deformations of polyhedral shapes of functional group distributions in biomolecules
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P.G. Mezey, K. Fukui and S. Arimoto, A treatment of small deformations of polyhedral shapes of functional group distributions in biomolecules, Internat. J. Quant. Chem. 76 (2000) 756-761.
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Internat. J. Quant. Chem.
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Mezey, P.G.1
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86
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0034744659
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Distributions and averages of molecular conformations
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P.G. Mezey, Distributions and averages of molecular conformations, Comput. Chem. 25 (2001) 69-75.
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Comput. Chem.
, vol.25
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88
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0007257052
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Molecular informatics and topology in chemistry
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eds. R.B. King and D.H. Rouvray (Ellis Horwood, UK) in press
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P.G. Mezey, Molecular informatics and topology in chemistry, in: Topology in Chemistry, eds. R.B. King and D.H. Rouvray (Ellis Horwood, UK) in press.
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Topology in Chemistry
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Mezey, P.G.1
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