Assessing utility of handheld laser induced breakdown spectroscopy as a means of Dalbergia speciation von Celani, Caelin P, Lancaster, Cady A, Jordan, James A, Espinoza, Edgard O, Booksh, Karl S

Volltext

Exploring elucidation of red dye mixtures on woolen historical textiles via non-destructive spectroscopic analysis and multivariate cluster analysis von Celani, Caelin P., Degano, Ilaria, Chen, Carolyn, Jaeger, Olivia, Speed, Amelia M., Booksh, Karl S., Alcantara-Garcia, Jocelyn

Volltext

Visualization of confusion matrices with network graphs von Gilbraith, William E., Celani, Caelin P., Booksh, Karl S.

Volltext

The C5H6NH2 + Protonated Shiff Base:  An ab Initio Minimal Model for Retinal Photoisomerization von Garavelli, M, Celani, P, Bernardi, F, Robb, M. A, Olivucci, M

Volltext

Supervised discretization for decluttering classification models von Jordan, James A, Celani, Caelin P, Ketterer, Michael, Lavine, Barry K, Booksh, K. S

Volltext

Reaction Path of a sub-200 fs Photochemical Electrocyclic Reaction von Garavelli, M, Page, C. S, Celani, P, Olivucci, M, Schmid, W. E, Trushin, S. A, Fuss, W

Volltext

Evaluation of spectral collection strategies for identification of Dalbergia spp. using handheld laser‐induced breakdown spectroscopy von Celani, Caelin P., McCormick, Rachel A., Speed, Amelia M., Johnston, William, Jordan, James A., Coplen, Tyler B., Booksh, Karl S.

Volltext

Multireference perturbation theory for large restricted and selected active space reference wave functions von Celani, Paolo, Werner, Hans-Joachim

Volltext

Analytical energy gradients for internally contracted second-order multireference perturbation theory von Celani, Paolo, Werner, Hans-Joachim

Volltext

A Structural Analysis of the Obsessional Character: A Fairbairnian Perspective von Celani, David, P.

Volltext

Applying Fairbairn's object relations theory to the dynamics of the battered woman von CELANI, D. P

Volltext

Assessing utility of handheld laser induced breakdown spectroscopy as a means of speciation von Celani, Caelin P, Lancaster, Cady A, Jordan, James A, Espinoza, Edgard O, Booksh, Karl S

Volltext

Photoisomerization Path for a Realistic Retinal Chromophore Model:  The Nonatetraeniminium Cation von Garavelli, Marco, Vreven, Thom, Celani, Paolo, Bernardi, Fernando, Robb, Michael A, Olivucci, Massimo

Volltext

Parallel implementation of the CI-vector evaluation in full CI/CAS-SCF von Klene, Michael, Robb, Michael A., Frisch, Michael J., Celani, Paolo

Volltext

Relaxation Paths from a Conical Intersection:  The Mechanism of Product Formation in the Cyclohexadiene/Hexatriene Photochemical Interconversion von Garavelli, Marco, Celani, Paolo, Fato, Monica, Bearpark, Michael J, Smith, Barry R, Olivucci, Massimo, Robb, Michael A

Volltext

A valence-bond-based complete-active-space self-consistent-field method for the evaluation of bonding in organic molecules von Blancafort, Llu s, Celani, Paolo, Bearpark, Michael J., Robb, Michael A.

Volltext

Force Fields for “Ultrafast” Photochemistry:  The S 2 (1B u ) → S 1 (2A g ) → S 0 (1A g ) Reaction Path for all - trans -Hexa-1,3,5-triene von Garavelli, Marco, Celani, Paolo, Bernardi, Fernando, Robb, Michael A., Olivucci, Massimo

Volltext

Conical Intersection Mechanism for Photochemical Ring Opening in Benzospiropyran Compounds von Celani, Paolo, Bernardi, Fernando, Olivucci, Massimo, Robb, Michael A

Volltext

Potential-energy surfaces for ultrafast photochemistry Static and dynamic aspects von Garavelli, Marco, Bernardi, Fernando, Olivucci, Massimo, Vreven, Thom, Klein, Ste′phane, Celani, Paolo, Robb, Michael A.

Volltext

Theoretical Modelling as a Possible Tool in the Design of Photochromic Systems von Robb, M. A., Bearpark, M. J., Celani, P., Bernardi, F., Olivucci, M.

Volltext