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Emerging opportunities and future directions: general discussion.
Althorpe SC, Barford W, Blumberger J, Bungey C, Burghardt I, Datta A, Ghosh S, Giannini S, Grünbaum T, Habershon S, Hammes-Schiffer S, Hay S, Iyengar S, Jones G, Kelly A, Komarova K, Lawrence J, Litman Y, Mannouch J, Manolopoulos D, Martens C, Maurer RJ, Melander M, Rossi M, Sakaushi K, Saller M, Schile A, Sturniolo S, Trenins G, Worth G. Althorpe SC, et al. Among authors: worth g. Faraday Discuss. 2019 Dec 16;221(0):564-581. doi: 10.1039/C9FD90077B. Faraday Discuss. 2019. PMID: 31777883 No abstract available.
Spectroscopic signatures of quantum effects: general discussion.
Alvertis AM , Barford W , Bourne Worster S , Burghardt I , Chin A , Datta A , Dijkstra A , Fay T , Fielding H , Grünbaum T , Habershon S , Hammes-Schiffer S , Iyengar S , Jones AR , Komarova K , Léonard J , Litman Y , Picconi D , Plant D , Schile A , Scholes GD , Segarra-Martí J , Segatta F , Troisi A , Worth G . Alvertis AM , et al. Among authors: worth g. Faraday Discuss. 2019 Dec 16;221(0):322-349. doi: 10.1039/C9FD90074H. Faraday Discuss. 2019. PMID: 31778136 No abstract available.
Quantum coherence in complex environments: general discussion.
Alvertis AM, Barford W, Bourne Worster S, Burghardt I, Datta A, Dijkstra A, Fay T, Ghosh S, Grünbaum T, Habershon S, Hore PJ, Hutchinson D, Iyengar S, Jones AR, Jones G, Komarova K, Lawrence J, Léonard J, Litman Y, Mannouch J, Manolopoulos D, Martens C, Mondelo-Martell M, Picconi D, Plant D, Sakaushi K, Saller MAC, Schile A, Scholes GD, Segarra-Martí J, Segatta F, Troisi A, Worth G. Alvertis AM, et al. Among authors: worth g. Faraday Discuss. 2019 Dec 16;221(0):168-201. doi: 10.1039/C9FD90076D. Faraday Discuss. 2019. PMID: 31793613 No abstract available.
Zero-point energy and tunnelling: general discussion.
Althorpe SC , Alvertis AM , Barford W , Benson RL , Burghardt I , Giannini S , Habershon S , Hammes-Schiffer S , Hay S , Iyengar S , Kelly A , Komarova K , Lawrence J , Litman Y , Martens C , Maurer RJ , Plant D , Rossi M , Sakaushi K , Schile A , Sturniolo S , Tew DP , Trenins G , Worth G . Althorpe SC , et al. Among authors: worth g. Faraday Discuss. 2019 Dec 16;221(0):478-500. doi: 10.1039/C9FD90075F. Faraday Discuss. 2019. PMID: 31796942 No abstract available.
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets.
Worth GA, Robb MA, Burghardt I. Worth GA, et al. Faraday Discuss. 2004;127:307-23. doi: 10.1039/b314253a. Faraday Discuss. 2004. PMID: 15471352
In a recent paper (G. Worth, P. Hunt and M. Robb, J. Phys. Chem. A, 2003, 107, 621), we used surface hopping direct dynamics calculations to study the molecular dynamics of the butatriene radical cation in the X/A manifold, which is coupled by a conical intersection …
In a recent paper (G. Worth, P. Hunt and M. Robb, J. Phys. Chem. A, 2003, 107, 621), we used surface hopping direct dynamics c …
Quantum dynamics of isolated molecules: general discussion.
Babikov D, Benoit D, Bowman J, Burd T, Clary D, Donovan R, Fischer I, Gianturco F, Hochlaf M, Kar S, Kirrander A, Leone S, Malcomson T, Manthe U, McCoy AB, Petersen J, Richardson J, Slavíček P, Stoecklin T, Szalewicz K, van der Avoird A, Wester R, Worth G, Zehnacker-Rentien A. Babikov D, et al. Among authors: worth g. Faraday Discuss. 2018 Dec 13;212(0):281-306. doi: 10.1039/c8fd90052c. Faraday Discuss. 2018. PMID: 30511069 No abstract available.
Precise characterisation of isolated molecules: general discussion.
Bacic Z, Benoit D, Besemer M, Bowman J, Bradforth S, Clary D, Donovan R, Fischer I, Gianturco F, Hochlaf M, Houston P, Knowles P, Leone S, Linguerri R, Manthe U, McCoy AB, Petersen J, Richardson J, Shan X, Slavíček P, Stoecklin T, Szalewicz K, van der Avoird A, Wester R, Worth G, Zehnacker-Rentien A. Bacic Z, et al. Among authors: worth g. Faraday Discuss. 2018 Dec 13;212(0):137-155. doi: 10.1039/c8fd90050g. Faraday Discuss. 2018. PMID: 30507986 No abstract available.
227 results