Zobrazeno 1 - 10
of 33
pro vyhledávání: '"V. I. Tyulin"'
Publikováno v:
Russian Journal of Physical Chemistry A. 89:1248-1253
The bands of the vibrational structure of the n-π* transition in the high-resolution UV absorption spectrum of methacrolein vapor were assigned. The 0–0 transitions of the s-trans- and s-cis-isomers were evaluated: ν00trans = 26484.3 cm−1, ν00
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::51e18c7724339bc7048728582061bac6
https://doi.org/10.1134/s0036024415070195
https://doi.org/10.1134/s0036024415070195
Publikováno v:
Journal of Structural Chemistry. 56:27-33
Structural parameters of trans- and cis-isomers of an acryloyl fluoride molecule in the ground (S0) and excited (S1) electronic states are determined. The F(φ) function is expanded into the Fourier series. The internal rotation potential functions (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1f230b0b8c70860c355d49413862ad8
https://doi.org/10.1134/s0022476615010059
https://doi.org/10.1134/s0022476615010059
Publikováno v:
Russian Journal of Physical Chemistry A. 87:789-793
B3LYP, MP2, CCSD(T), and MP4/MP2 in the 6-311G(d, p), 6-311++G(d, p), cc-pVTZ, aug-cc-pVTZ bases used to calculate the transition frequencies of torsional vibration of trans- and cis-isomers of acrolein in the ground electronic state (S 0) are analyz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::224a1aebe2acce242ab7758c3b01aeb7
https://doi.org/10.1134/s0036024413050154
https://doi.org/10.1134/s0036024413050154
Publikováno v:
Russian Journal of Physical Chemistry A. 86:600-605
The assignments of absorption bands of the vibrational structure of the UV spectrum are compared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5b387f7a199f71645f161145857877a8
https://doi.org/10.1134/s0036024412040140
https://doi.org/10.1134/s0036024412040140
Publikováno v:
Russian Journal of Physical Chemistry A. 83:955-961
The vibrational structure of the UV absorption spectrum of acryloyl chloride vapor was analyzed to obtain detailed information about the torsional vibration levels of the trans and cis isomers in the ground (S0) and excited (S1) electronic states. Th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9854ac8f6905472e118effd0eb3a0218
https://doi.org/10.1134/s0036024409060156
https://doi.org/10.1134/s0036024409060156
Publikováno v:
Russian Journal of Physical Chemistry A. 83:962-966
The systems of torsional vibration levels of the trans and cis methacryloyl chloride isomers in the ground (S 0) and excited (S 1) electronic states obtained by analyzing the vibrational structure of the gas-phase UV spectrum were used to reproduce t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ce1fe7f0f26c9fd69547188f2fa03d6d
https://doi.org/10.1134/s0036024409060168
https://doi.org/10.1134/s0036024409060168
Publikováno v:
Russian Journal of Physical Chemistry. 81:34-37
The internal rotation potential function of the acryloyl chloride molecule in the S 0 and S 1 electronic states was reproduced using systems of torsional vibration levels obtained for its trans and cis isomers by analyzing the vibrational structure o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6650454bc9efc1f9c42532c477598aac
https://doi.org/10.1134/s0036024407010098
https://doi.org/10.1134/s0036024407010098
Publikováno v:
Russian Journal of Physical Chemistry. 80:231-237
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7fc5d08843fafc7ef08fec6409aa154d
https://doi.org/10.1134/s0036024406020208
https://doi.org/10.1134/s0036024406020208
Publikováno v:
Russian Chemical Bulletin. 48:239-244
Drawbacks of the standard method for solving the problem of internal rotation (IR) in molecules with symmetrical tops were examined. The drawbacks can be eliminated by taking into account the higher harmonics of the IR potentials. A new calculation p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8cff4c652bb890dde50e529f6fe0943
https://doi.org/10.1007/bf02494539
https://doi.org/10.1007/bf02494539
Publikováno v:
Journal of Structural Chemistry. 38:231-235
The direct and inverse vibrational problems are solved for the rotational isomers of the glyoxal and oxalyl halide molecules in the ground and first excited singlet states.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e2642c3eda977fda377886696befbbec
https://doi.org/10.1007/bf02762651
https://doi.org/10.1007/bf02762651