-
1
-
-
0002873677
-
Efficient calculation of vibrational magnetic dipole transition moments and rotational strengths
-
Amos RD et al (1987) Efficient calculation of vibrational magnetic dipole transition moments and rotational strengths. Chem Phys Lett 133: 21-26.
-
(1987)
Chem Phys Lett
, vol.133
, pp. 21-26
-
-
Amos, R.D.1
-
2
-
-
0003990718
-
-
Cambridge: Cambridge University Chemical Laboratory
-
Amos RD, Alberts IL, Andrews JS, Colwell SM, Handy NC, Jayatilaka D, Knowles PJ, Kobayashi R, Laming GJ, Lee AM, Maslen PE, Murray, CW Palmierie P, Rice JE, Simandiras ED, Stone AJ, Su MD, Tozer DJ (1998) CADPAC6. 5, The Cambridge analytic derivatives package. Cambridge University Chemical Laboratory, Cambridge.
-
(1998)
CADPAC6.5, The Cambridge Analytic Derivatives Package
-
-
Amos, R.D.1
Alberts, I.L.2
Andrews, J.S.3
Colwell, S.M.4
Handy, N.C.5
Jayatilaka, D.6
Knowles, P.J.7
Kobayashi, R.8
Laming, G.J.9
Lee, A.M.10
Maslen, P.E.11
Murray, C.W.12
Palmierie, P.13
Rice, J.E.14
Simandiras, E.D.15
Stone, A.J.16
Su, M.D.17
Tozer, D.J.18
-
4
-
-
2242452988
-
Ab initio calculation of molecular energies including parity-violating interactions
-
Bakasov A, Ha T-K, Quack M (1998) Ab initio calculation of molecular energies including parity-violating interactions. J Chem Phys 109: 7263-7285.
-
(1998)
J Chem Phys
, vol.109
, pp. 7263-7285
-
-
Bakasov, A.1
Ha, T.-K.2
Quack, M.3
-
5
-
-
0001507410
-
Erratum: Ab initio calculation of molecular energies including parity-violating interactions
-
Bakasov A, Ha T-K, Quack M (1999) Erratum: ab initio calculation of molecular energies including parity-violating interactions. J Chem Phys 110: 6081.
-
(1999)
J Chem Phys
, vol.110
, pp. 6081
-
-
Bakasov, A.1
Ha, T.-K.2
Quack, M.3
-
6
-
-
0000514088
-
Representation of parity-violating potentials in molecular main chiral axes
-
Bakasov A, Quack M (1999) Representation of parity-violating potentials in molecular main chiral axes. Chem Phys Lett 303: 547-557.
-
(1999)
Chem Phys Lett
, vol.303
, pp. 547-557
-
-
Bakasov, A.1
Quack, M.2
-
7
-
-
0000765418
-
Multiconfiguration linear response approach to the calculation of parity-violating potentials in polyatomic molecules
-
Berger R, Quack M (2000) Multiconfiguration linear response approach to the calculation of parity-violating potentials in polyatomic molecules. J Chem Phys 112: 3148-3158.
-
(2000)
J Chem Phys
, vol.112
, pp. 3148-3158
-
-
Berger, R.1
Quack, M.2
-
9
-
-
0035836323
-
Left-right correlation energy
-
Handy NC, Cohen AJ (2001) Left-right correlation energy. Mol Phys 99: 403-412.
-
(2001)
Mol Phys
, vol.99
, pp. 403-412
-
-
Handy, N.C.1
Cohen, A.J.2
-
10
-
-
0001652762
-
Development and assessment of new exchange-correlation functionals
-
Hamprecht FA, Cohen AJ, Tozer DJ, Handy NC (1998) Development and assessment of new exchange-correlation functionals. J Chem Phys 109: 6264-6271.
-
(1998)
J Chem Phys
, vol.109
, pp. 6264-6271
-
-
Hamprecht, F.A.1
Cohen, A.J.2
Tozer, D.J.3
Handy, N.C.4
-
11
-
-
0000504535
-
Parity non-conserving energy difference between mirror-image molecules
-
Hegstrom RA, Rein DW, Sandars PGH (1979) Parity non-conserving energy difference between mirror-image molecules. Phys Lett A 71: 499-502.
-
(1979)
Phys Lett A
, vol.71
, pp. 499-502
-
-
Hegstrom, R.A.1
Rein, D.W.2
Sandars, P.G.H.3
-
12
-
-
36749110338
-
Calculation of the parity non-conserving energy difference between mirror-image molecules
-
Hegstrom RA, Rein DW, Sandars PGH (1980) Calculation of the parity non-conserving energy difference between mirror-image molecules. J Chem Phys 73: 2329-2341.
-
(1980)
J Chem Phys
, vol.73
, pp. 2329-2341
-
-
Hegstrom, R.A.1
Rein, D.W.2
Sandars, P.G.H.3
-
13
-
-
0037066038
-
Parity-violating interaction in H2O2 calculated from density-functional theory
-
Hennum AC, Helgaker T, Klopper W (2002) Parity-violating interaction in H2O2 calculated from density-functional theory. Chem Phys Lett 354: 274-282.
-
(2002)
Chem Phys Lett
, vol.354
, pp. 274-282
-
-
Hennum, A.C.1
Helgaker, T.2
Klopper, W.3
-
14
-
-
0023069448
-
Selection of molecular chirality by extremely weak chiral interactions under far from equilibrium conditions
-
Kondepudi DK (1987) Selection of molecular chirality by extremely weak chiral interactions under far from equilibrium conditions. BioSystems 20: 75-83.
-
(1987)
BioSystems
, vol.20
, pp. 75-83
-
-
Kondepudi, D.K.1
-
15
-
-
0001128807
-
Fully relativistic ab initio calculations of the energies of chiral molecules including parity-violating weak interactions
-
Laerdahl JK, Schwerdtfeger P (1999) Fully relativistic ab initio calculations of the energies of chiral molecules including parity-violating weak interactions. Phys Rev A 60: 4439-4453.
-
(1999)
Phys Rev A
, vol.60
, pp. 4439-4453
-
-
Laerdahl, J.K.1
Schwerdtfeger, P.2
-
16
-
-
0031582952
-
On the calculation of parity-violating energies in hydrogen peroxide and hydrogen disulphide molecules within the random-phase approximation
-
Lazzeretti P, Zanasi R (1997) On the calculation of parity-violating energies in hydrogen peroxide and hydrogen disulphide molecules within the random-phase approximation. Chem Phys Lett 279: 349-354.
-
(1997)
Chem Phys Lett
, vol.279
, pp. 349-354
-
-
Lazzeretti, P.1
Zanasi, R.2
-
17
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee C, Yang W, Parr RG (1988) Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev B 37: 785-789.
-
(1988)
Phys Rev B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
18
-
-
0029311787
-
Electroweak enantioselection and the origin of life
-
MacDermott AJ (1995) Electroweak enantioselection and the origin of life. Orig Life Evol Biosph 25: 191-199.
-
(1995)
Orig Life Evol Biosph
, vol.25
, pp. 191-199
-
-
Macdermott, A.J.1
-
19
-
-
0034115995
-
The ascent of parity-violation: Exochirality in the solar system and beyond
-
MacDermott AJ (2000) The ascent of parity-violation: exochirality in the solar system and beyond. Enantiomer 5: 153-168.
-
(2000)
Enantiomer
, vol.5
, pp. 153-168
-
-
Macdermott, A.J.1
-
20
-
-
4644349998
-
A proposed experiment to measure the parity-violating energy difference between enantiomers from the optical rotation of chiral ammonia-like "cat" molecules
-
MacDermott AJ, Hegstrom RA (2004) A proposed experiment to measure the parity-violating energy difference between enantiomers from the optical rotation of chiral ammonia-like "cat" molecules. Chem Phys 305: 55-68.
-
(2004)
Chem Phys
, vol.305
, pp. 55-68
-
-
Macdermott, A.J.1
Hegstrom, R.A.2
-
21
-
-
26744468762
-
The search for large parity-violating energy differences finds fruit in thiosubstituted DNA analogues
-
MacDermott AJ, Tranter GE, Trainor SJ (1989) The search for large parity-violating energy differences finds fruit in thiosubstituted DNA analogues. Chem Phys Lett 194: 152-156.
-
(1989)
Chem Phys Lett
, vol.194
, pp. 152-156
-
-
Macdermott, A.J.1
Tranter, G.E.2
Trainor, S.J.3
-
22
-
-
84927278604
-
The parity-violating energy difference between enantiomeric molecules
-
Mason SF, Tranter GE (1984) The parity-violating energy difference between enantiomeric molecules. Mol Phys 53: 1091-1111.
-
(1984)
Mol Phys
, vol.53
, pp. 1091-1111
-
-
Mason, S.F.1
Tranter, G.E.2
-
23
-
-
0001815609
-
The electroweak origin of biomolecular handedness
-
Mason SF, Tranter GE (1985) The electroweak origin of biomolecular handedness. Proc R Soc Lond A 397: 45-65.
-
(1985)
Proc R Soc Lond A
, vol.397
, pp. 45-65
-
-
Mason, S.F.1
Tranter, G.E.2
-
24
-
-
0037122053
-
How Important is parity-violation for molecular and biomolecular chirality?
-
Quack M (2002) How Important is parity-violation for molecular and biomolecular chirality? Angew Chem Int Ed 41: 4618-4630.
-
(2002)
Angew Chem Int Ed
, vol.41
, pp. 4618-4630
-
-
Quack, M.1
-
25
-
-
0006893325
-
The parity-violating energy differences between the enantiomers of α-amino acids
-
Tranter GE (1985) The parity-violating energy differences between the enantiomers of α-amino acids. Chem Phys Lett 120: 93-96.
-
(1985)
Chem Phys Lett
, vol.120
, pp. 93-96
-
-
Tranter, G.E.1
-
26
-
-
0042336394
-
Parity-violating energy differences and the origin of biomolecular homochirality
-
Tranter GE (1986a) Parity-violating energy differences and the origin of biomolecular homochirality. J Theor Biol 119: 467-479.
-
(1986)
J Theor Biol
, vol.119
, pp. 467-479
-
-
Tranter, G.E.1
-
27
-
-
0002413408
-
Preferential stabilization of the d-sugar series by the parity-violating weak interactions
-
Tranter GE (1986b) Preferential stabilization of the d-sugar series by the parity-violating weak interactions. J Chem Soc Chem Commun 60-61.
-
(1986)
J Chem Soc Chem Commun
, pp. 60-61
-
-
Tranter, G.E.1
-
28
-
-
0001624466
-
Computational studies of the electroweak origin of biomolecular handedness in natural sugars
-
Tranter GE, MacDermott AJ et al (1992) Computational studies of the electroweak origin of biomolecular handedness in natural sugars. Proc R Soc Lond A 436: 603-615.
-
(1992)
Proc R Soc Lond A
, vol.436
, pp. 603-615
-
-
Tranter, G.E.1
MacDermott, A.J.2
-
29
-
-
0042732127
-
Biomolecular homochirality and electroweak interactions. I. The yamagata hypothesis
-
Wesendrup R, Laerdahl JK, Compton RN, Schwerdtfeger P (2003) Biomolecular homochirality and electroweak interactions. I. The yamagata hypothesis. J Phys Chem A 107: 6668-6673.
-
(2003)
J Phys Chem A
, vol.107
, pp. 6668-6673
-
-
Wesendrup, R.1
Laerdahl, J.K.2
Compton, R.N.3
Schwerdtfeger, P.4
-
30
-
-
0013935945
-
A hypothesis of the asymmetric appearance of biomolecules on earth
-
Yamagata Y (1966) A hypothesis of the asymmetric appearance of biomolecules on earth. J Theor Biol 11: 495-498.
-
(1966)
J Theor Biol
, vol.11
, pp. 495-498
-
-
Yamagata, Y.1
-
31
-
-
0032502392
-
On the stabilization of natural L-enantiomers of α-amino acids via parity-violating effects
-
Zanasi R, Lazzeretti P (1998) On the stabilization of natural L-enantiomers of α-amino acids via parity-violating effects. Chem Phys Lett 286: 240-242.
-
(1998)
Chem Phys Lett
, vol.286
, pp. 240-242
-
-
Zanasi, R.1
Lazzeretti, P.2
-
32
-
-
0001070589
-
Theoretical results which strengthen the hypothesis of electroweak bioenantioselection
-
Zanasi R, Lazzeretti P et al (1999) Theoretical results which strengthen the hypothesis of electroweak bioenantioselection. Phys Rev E 59: 3382-3385.
-
(1999)
Phys Rev E
, vol.59
, pp. 3382-3385
-
-
Zanasi, R.1
Lazzeretti, P.2
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