화학공학소재연구정보센터
검색결과 : 15건
No. Article
1 Anharmonic force fields of Naphthalene-h(8) and Naphthalene-d(8)
Cane E, Miani A, Trombetti A
Journal of Physical Chemistry A, 111(33), 8218, 2007
2 Structure and Raman spectrum of clavulanic acid in aqueous solution
Miani A, Raugei S, Carloni P, Helfand MS
Journal of Physical Chemistry B, 111(10), 2621, 2007
3 A novel parametrization scheme for classical and quantum mechanical simulations of large, floppy molecular systems
Miani A, Carloni P, Raugei S
Chemical Physics Letters, 427(1-3), 230, 2006
4 Deuterium isotope effects in A : T and A : U base pairs: A computational NMR study
Vidossich P, Piana S, Miani A, Carloni P
Journal of the American Chemical Society, 128(22), 7215, 2006
5 Can ortho-para transitions for water be observed?
Miani A, Tennyson J
Journal of Chemical Physics, 120(6), 2732, 2004
6 Vibrational energy levels for symmetric and asymmetric isotopomers of ammonia with an exact kinetic energy operator and new potential energy surfaces
Rajamaki T, Miani A, Halonen L
Journal of Chemical Physics, 118(14), 6358, 2003
7 Six-dimensional ab initio potential energy surfaces for H3O+ and NH3: Approaching the subwave number accuracy for the inversion splittings
Rajamaki T, Miani A, Halonen L
Journal of Chemical Physics, 118(24), 10929, 2003
8 CCSD(T) inversion spectrum for H3O+
Miani A, Beddoni A, Pesonen J, Halonen L
Chemical Physics Letters, 363(1-2), 52, 2002
9 Six-dimensional variational calculations for vibrational energy levels of ammonia and its isotopomers
Rajamaki T, Miani A, Pesonen J, Halonen L
Chemical Physics Letters, 363(3-4), 226, 2002
10 The harmonic vibrational frequencies and the geometry of the (C6H6)-C-12
Cane E, Miani A, Trombetti A
Chemical Physics Letters, 340(3-4), 356, 2001