Contents

Current Organic Chemistry, Volume 14 - Number 15

Editorial [Hot topic: Molecular Simulations in Organic Chemistry (Guest Editor: Carlos Silva Lopez)]

, 14(15): 1523

Carlos Silva


DOI: 10.2174/138527210793563251




From Molecular Vibrations to Bonding, Chemical Reactions, and Reaction Mechanism

, 14(15): 1524 - 1560

Dieter Cremer and Elfi Kraka


DOI: 10.2174/138527210793563233




Theoretical Studies on Pentadienyl Cation Electrocyclizations

, 14(15): 1561 - 1577

Rebecca L. Davis and Dean J. Tantillo


DOI: 10.2174/138527210793563297




Studying Double Group Transfer Reactions by Means of Computational Methods

, 14(15): 1578 - 1585

Israel Fernandez and Fernando P. Cossio


DOI: 10.2174/138527210793563242




Cumulene Rearrangements: Ketene-Ketene, Isocyanate-Isocyanate, Thioketene-Ketene, Imidoylketene-Ketenimine, and Ketene-Allene Rearrangements

, 14(15): 1586 - 1599

Curt Wentrup, Justin J. Finnerty and Rainer Koch


DOI: 10.2174/138527210793563279




Unexpected Gas-Phase Ion Chemistry Results Unraveled by Computational Chemistry

, 14(15): 1600 - 1611

Jose A. Gamez, Ines Corral, Otilia Mo and Manuel Yanez


DOI: 10.2174/138527210793563288




From Relative to Absolute Configuration of Complex Natural Products: Interplay Between NMR, ECD, VCD, and ORD Assisted by ab initio Calculations

, 14(15): 1612 - 1628

Ana G. Petrovic, Armando Navarro-Vazquez and Jose Lorenzo Alonso-Gomez


DOI: 10.2174/138527210793563215




Application of Q2MM to Stereoselective Reactions

, 14(15): 1629 - 1645

Sten O. Nilsson Lill, Aaron Forbes, Patrick Donoghue, Vincenzo Verdolino, Olaf Wiest, Patrik Rydberg and Per-Ola Norrby


DOI: 10.2174/138527210793563224




Cyclization Cascade of Allenyl Azides: Synergy Between Theory and Experiment

, 14(15): 1646 - 1657

Olalla Nieto Faza, Ken S. Feldman and Carlos Silva Lopez


DOI: 10.2174/138527210793563305




Theory, Experiment and Unusual Features of Potential Energy Surfaces of Pericyclic and Pseudopericyclic Reactions with Sequential Transition Structures

, 14(15): 1658 - 1668

David Martin Birney


DOI: 10.2174/138527210793563260




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