Femtosecond spectroscopy and TD-DFT calculations of CuCl42− excited states

Copper Active Sites in Biology

(2014) Edward I. Solomon et al.   CHEMICAL REVIEWS

RAMAN SPECTROSCOPY OF TRANSITION METAL COMPLEXES: MOLECULAR VIBRATIONAL FREQUENCIES, PHASE TRANSITIONS, ISOMERS, AND ELECTRONIC STRUCTURE

(2012) Yan Suffren et al.   COMMENTS ON INORGANIC CHEMISTRY

UV–Vis Identification and DFT-Assisted Prediction of Structures of Cu(II)–Alkyl Chlorocomplexes

(2012) Oleg I. Gromov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

(2011) Masahiro Ehara et al.   CHEMICAL PHYSICS

Femtosecond pulse excitation of vibrational wave packets in chloroform: The effect of gold nanoparticles

(2011) A. N. Kostrov et al.   HIGH ENERGY CHEMISTRY

Efficient time-dependent density functional theory approximations for hybrid density functionals: Analytical gradients and parallelization

(2011) Taras Petrenko et al.   JOURNAL OF CHEMICAL PHYSICS

P680 (PD1PD2) and ChlD1 as alternative electron donors in photosystem II core complexes and isolated reaction centers

(2011) I.V. Shelaev et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY

Cu(II)-Alkyl Chlorocomplexes: Stable Compounds or Transients? DFT Prediction of their Structure and EPR Parameters

(2011) Elena N. Golubeva et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photochemistry of Monochloro Complexes of Copper(II) in Methanol Probed by Ultrafast Transient Absorption Spectroscopy

(2011) Andrey S. Mereshchenko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intermediate particles in the catalysis of radical reactions of chlorohydrocarbons

(2011) E. N. Golubeva et al.   Russian Journal of Physical Chemistry B

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Copper Catalyzed Atom Transfer Radical Addition (ATRA) and Cyclization (ATRC) Reactions in the Presence of Reducing Agents

(2010) William T. Eckenhoff et al.   CATALYSIS REVIEWS-SCIENCE AND ENGINEERING

Copper-catalyzed atom transfer radical addition (ATRA) and cyclization (ATRC) reactions in the presence of environmentally benign ascorbic acid as a reducing agent

(2010) Matthew J. W. Taylor et al.   DALTON TRANSACTIONS

Photochemistry of tetraalkylammonium tetrachlorocuprates in low-temperature matrices

(2009) A. V. Lobanov et al.   HIGH ENERGY CHEMISTRY

Formation of Active Catalysts in the System: Chlorocuprates−CCl4−n-C10H22

(2009) Elena N. Golubeva et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

(2008) Frank Neese et al.   CHEMICAL PHYSICS

Copper(II) organic compounds as intermediates of photochemical transformations of quaternary ammonium tetrachlorocuprates

(2008) E. N. Golubeva et al.   DOKLADY CHEMISTRY