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. |
Další formáty:
BibTeX
LaTeX
RIS
@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.
|