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• W2012360984 abstract "The experimental rotational barriers of biphenyl, 1, (6.0 and 6.5 kJ mol−1) and the ab initio calculated conformational behaviour of 2,2′-bipyridine, 2, (29.3, 21.7, 27.6 and 0.0 kJ mol−1), as well as their geometry, have been correctly reproduced by Empirical Force Field calculations using a modified MM2 program (MM2-V4) containing the fourth term in the torsional potential function (1: 5.52 and 6.60 kJ mol−1; 2: 29.7, 25.0, 26.9 and 0.0 kJ mol−1)." @default.
• W2012360984 created "2016-06-24" @default.
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• W2012360984 date "1989-04-01" @default.
• W2012360984 modified "2023-09-23" @default.
• W2012360984 title "Empirical force field calculations (MM2-V4) on biphenyl and 2,2′-bipyridine" @default.
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• W2012360984 doi "https://doi.org/10.1016/0022-2860(89)80162-0" @default.
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