| KULHÁNEK, Petr, Milan POTÁČEK a Jaroslav KOČA. Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition. Collection of Czechoslovak Chemical Communications. Prague, 2004, roč. 69/2004, č. 1, s. 231-241. ISSN 0010-0765. |
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@article{492668,
author = {Kulhánek, Petr and Potáček, Milan and Koča, Jaroslav},
article_location = {Prague},
article_number = {1},
keywords = {criss-cross cycloadditions; density functional theory; molecular modeling},
language = {eng},
issn = {0010-0765},
journal = {Collection of Czechoslovak Chemical Communications},
title = {Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition},
volume = {69/2004},
year = {2004}
}
TY - JOUR
ID - 492668
AU - Kulhánek, Petr - Potáček, Milan - Koča, Jaroslav
PY - 2004
TI - Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition
JF - Collection of Czechoslovak Chemical Communications
VL - 69/2004
IS - 1
SP - 231-241
EP - 231-241
SN - 00100765
KW - criss-cross cycloadditions
KW - density functional theory
KW - molecular modeling
N2 - Two different reaction mechanism of a mixed criss-cross cycloaddition with opposite sequence of reaction steps, intra-intermolecular and inter-intramolecular, were explored by quantum-chemical calculations at the MP2 and B3LYP levels of theory and with cc-pVDZ basis set.
ER -
KULHÁNEK, Petr, Milan POTÁČEK a Jaroslav KOČA. Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition. \textit{Collection of Czechoslovak Chemical Communications}. Prague, 2004, roč.~69/2004, č.~1, s.~231-241. ISSN~0010-0765.
|
