Results 151 to 160 of about 17,729 (255)

Molecular quantum electrodynamics in chemical physics [PDF]

, 2008
Casimir H. B. G., Chemla D. S., Craig D. P., D. L. Andrews, D. P. Craig, Feynman R. P., Healy W. P., Lorrain P., Power E. A., Schwinger J., Shen Y. R., T. Thirunamachandran   +11 more
core   +1 more source

Revisiting the "Cluster-In-Solvent" Approach for Computational Spectroscopy: The Vibrational Circular Dichroism as a Test Case. [PDF]

J Comput Chem
Arra S, Daidone I, Aschi M.
europepmc   +1 more source

Structure–Activity Relationship Study of Selective Excitatory Amino Acid Transporter Subtype 1 (EAAT1) Inhibitor 2-Amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (UCPH-101) and Absolute Configurational Assignment Using Infrared and Vibrational Circular Dichroism Spectroscopy in Combination with ab Initio Hartree–Fock Calculations [PDF]

, 2012
Alexander G. M., Anders A. Jensen, Beart P. M., Birgitte Nielsen, Bjarke Abrahamsen, Bringmann G., Bunch L., Clinch K., Corona J. C., Curtiss L. A., Curtiss L. A., Davis F. A., Devlin F. J., Erichsen M. N., Estrada Sanchez A. M., Foster A. C., Guo C., Henrik Bohr, Hout R. F., Irene Shim, Jensen A. A., Jensen A. A., Karlsson R. M., Karlsson R. M., Kawecki R., Kotake Y., Lee S. G., Lennart Bunch, Ma S., Minick D. J., Monde K., Muir K. W., Muller D., Munoz M. A., Olofsson B., Pople J. A., Pople J. A., Porzi G., Sanacora G., Sheldon A. L., Shin-ya K., Tri H. V. Huynh   +41 more
core   +2 more sources

Vibrational Circular Dichroism Spectra of Atomically-Precise Metal Clusters: Unveiling Conformational Structures and Mechanism of VCD Enhancement via Full Models. [PDF]

Small
Alshalalfeh M, Dong XY, Parshotam S, Li G, Cheeseman JR, Zang SQ, Xu Y.   +6 more
europepmc   +1 more source

Assignment of protonated R-homocitrate in extracted FeMo-cofactor of nitrogenase via vibrational circular dichroism spectroscopies. [PDF]

Commun Chem, 2020
Deng L, Wang H, Dapper CH, Newton WE, Shilov S, Wang S, Cramer SP, Zhou ZH.   +7 more
europepmc   +1 more source

Molecular and supramolecular chirality in gemini‐tartrate amphiphiles studied by electronic and vibrational circular dichroisms [PDF]

, 2009
Aurélie Brizard, Damien L. Berthier, Carole Aimé, Thierry Buffeteau, Dominique Cavagnat, Laurent Ducasse, Ivan Huc, Reïko Oda   +7 more
openalex   +1 more source

Vibrational and Electronic Circular Dichroism Study of Chiral Seleno Compounds Prepared from a Naphthol Based Diselenide

, 2022
Francesca Mangiavacchi, Giuseppe Mazzeo, Maria Chiara Graziani, Francesca Marini, J. Drabowicz, Ewelina Wielgus, Luca Sancineto, Giovanna Longhi, Riccardo Vivani, Sergio Abbate, Claudio Santi   +10 more
openalex   +1 more source

GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra. [PDF]

J Chem Inf Model, 2020
Koenis MAJ, Visser O, Visscher L, Buma WJ, Nicu VP.   +4 more
europepmc   +1 more source

Beta Sheets with a Twist: The Conformation of Helical Polyisocyanopeptides Determined by Using Vibrational Circular Dichroism [PDF]

, 2013
Erik Schwartz, Vincent Liégeois, Matthieu Koepf, Pavol Bodis, Jeroen J. L. M. Cornelissen, Patrick Brocorens, David Beljonne, Roeland J. M. Nolte, Alan E. Rowan, Sander Woutersen, Benoı̂t Champagne   +10 more
openalex   +1 more source

The Role of Anharmonicity in the HC*D Chromophore in Vibrational Circular Dichroism Spectra and Optical Rotation Data. [PDF]

J Phys Chem A
Fusè M, Longhi G, Mazzeo G, Bloino J, Abbate S.   +4 more
europepmc   +1 more source