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2
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0000119223
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Vogel, H. Z. Phys. 1921, 22, 645.
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Z. Phys.
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Vogel, H.1
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8
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33748478468
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Doctoral Thesis, Leiden University, Leiden, The Netherlands
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Heijboer, J. Doctoral Thesis, Leiden University, Leiden, The Netherlands, 1972.
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Heijboer, J.1
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11
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85033035788
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Reference 7, p 24
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Reference 7, p 24.
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12
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0028409958
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Diaz-Calleja, R.; Riande, E.; San Román, J.; Compañ, V. Macromolecules 1994, 27, 2092.
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Macromolecules
, vol.27
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Diaz-Calleja, R.1
Riande, E.2
San Román, J.3
Compañ, V.4
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18
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85033064760
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QCPE, Department of Chemistry, Indiana University, Bloomington, IN 47405
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QCPE, Department of Chemistry, Indiana University, Bloomington, IN 47405.
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19
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85033059075
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containing the AM1 procedure is included in the Sybyl package by agreement between Tripos and the QCPE
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The MOPAC program (version 5.0) containing the AM1 procedure is included in the Sybyl package by agreement between Tripos and the QCPE.
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The MOPAC Program (Version 5.0)
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-
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20
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85033069250
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note
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The following analysis is only qualitative and is presented just for illustrative purposes. Besides the possible inductive effects among these two contributions, which are not taken into account, modifications of bond lengths and bond angles produced during the MD simulations could originate dipole moments out of this expected range.
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21
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0003882305
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Freeman and Co.: San Francisco, CA, Rahara Enterprises: El Cerrito, CA
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McClellan, A. L. Tables of Experimental Dipole Moments; Freeman and Co.: San Francisco, CA, 1963, Vol. I; Rahara Enterprises: El Cerrito, CA, 1974, Vol. II;
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Tables of Experimental Dipole Moments
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McClellan, A.L.1
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23
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0041355193
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Clark, M.; Cramer, R. D., III; van Opdembosch, N. J. Comput. Chem. 1989, 10, 983.
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Clark, M.1
Cramer III, R.D.2
Van Opdembosch, N.J.3
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25
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85033048994
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note
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The number of visits to a given conformation that are produced during the MD simulation is evaluated by the program by counting how many points along the trajectory are in the desired conformation while the previous one is not in the same conformation. Each of these points represents the starting of a new visit.
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26
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85033069690
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note
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The probability distributions for the rotational angles, either taken to be independent or correlated, were computed within intervals of 10°. Thus, the value p(φ) was obtained by counting how many conformations had the value of this rotational angle within the range φ ± 5° and dividing this number by the total number of conformations generated along the MD simulation.
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27
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33845557828
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Saiz, E.; Hummel, J. P.; Flory, P. J.; Plavsic, M. J. Phys. Chem., 1991, 85, 3211.
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Saiz, E.1
Hummel, J.P.2
Flory, P.J.3
Plavsic, M.4
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28
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33748517972
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Stereodynamics of Alcohols, Ethers, Thio Ethers and Related Compounds
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Patai, S., Ed.; Interscience: New York, Chapter 5
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Bushweller, C. H.; Gianni, M. H. Stereodynamics of Alcohols, Ethers, Thio Ethers and Related Compounds. In The Chemistry of Functional Groups, Supplement E; Patai, S., Ed.; Interscience: New York, 1980; Chapter 5.
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The Chemistry of Functional Groups
, Issue.SUPPL. E
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Bushweller, C.H.1
Gianni, M.H.2
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30
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37049078052
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Anderson, J. E.; Bloodworth, A. J.; Cai, J.; Davies, A. G.; Schiesser, C. H. J. Chem. Soc., Perkin Trans. 2 1993, 601.
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J. Chem. Soc., Perkin Trans. 2
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Anderson, J.E.1
Bloodworth, A.J.2
Cai, J.3
Davies, A.G.4
Schiesser, C.H.5
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0346137948
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Cai, J.; Davies, A. G.; Schiesser, C. H. J. Chem. Soc., Perkin Trans. 2 1994, 1151.
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J. Chem. Soc., Perkin Trans. 2
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Cai, J.1
Davies, A.G.2
Schiesser, C.H.3
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