Journal Article (205)
181.
Journal Article
14 (22), pp. 8137 - 8146 (2012)
Nonadiabatic Decay Dynamics of 9H-Guanine in Aqueous Solution. Physical Chemistry Chemical Physics 182.
Journal Article
137 (18), 184305. (2012)
Experimental and theoretical investigations on photoabsorption and photoionization of trimethylphosphate in the vacuum-ultraviolet energy range. The Journal of Chemical Physics 183.
Journal Article
110 (19-20), pp. 2413 - 2417 (2012)
The resolution of identity and chain of spheres approximations for the LPNO-CCSD singles Fock term. Molecular Physics 184.
Journal Article
22, pp. 491 - 507 (2012)
Chemical Models for the Origin of Biological Homochirality. Genesis - In The Beginning: Precursors of Life, Chemical Models and Early Biological Evolution. Cellular Origin, Life in Extreme Habitats and Astrobiology series 185.
Journal Article
109, pp. 12 - 19 (2012)
Modeling of a violaxanthin-chlorophyll b chromophore pair in its LHCII environment using CAM-B3LYP. Journal of Photochemistry and Photobiology B: Biology 186.
Journal Article
14 (25), pp. 9016 - 9025 (2012)
The effect of Hydrogen Bonding on the Excited-State Proton Transfer in 2,(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 187.
Journal Article
116 (13), pp. 336 - 3376 (2012)
Theoretical Characterization of Absorption and Emission Spectra of an Asymmetric Porphycene. The Journal of Physical Chemistry A 188.
Journal Article
50 (1), pp. 5 - 6 (2012)
Aligned deuterochloroform in cross-linked polystyrene as a new sample for adjusting the magic angle in HR-MAS. Magnetic Resonance in Chemistry 189.
Journal Article
8 (10), pp. 3793 - 3803 (2012)
Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase. Journal of Chemical Theory and Computation 190.
Journal Article
14 (19), pp. 10324 - 10331 (2012)
SANS analysis of opal structures made by the capillary deposition method. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 191.
Journal Article
4 (8), pp. 1095 - 1104 (2012)
Theoretical Study of Asymmetric Transfer Hydrogenation of Ketones Catalyzed by Amino Acid-Derived Rhodium Complexes. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 192.
Journal Article
5 (11), pp. 2564 - 2601 (2012)
Hydrogenolysis Goes Bio: From Carbohydrates and Sugar Alcohols to Platform Chemicals. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 193.
Journal Article
5 (11), pp. 2139 - 2142 (2012)
Copper-Based Catalysts for Efficient Valorization of Cellulose. CHEMSUSCHEM 194.
Journal Article
131 (1), 1073, p. 1073 (2012)
Electronically excited states and photodynamics: a continuing challenge. Theoretical Chemistry Accounts 195.
Journal Article
137 (22), 22A514 (2012)
Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer. The Journal of Chemical Physics 196.
Journal Article
77 (12), pp. 1128 - 1138 (2012)
Peroxometalates Immobilized on Magnetically Recoverable Catalysts for Epoxidation. ChemPlusChem 197.
Journal Article
5 (8), pp. 1455 - 1466 (2012)
Solvent Effects on the Hydrogenolysis of Diphenyl Ether with Raney Nickel and their Implications for the Conversion of Lignin. CHEMSUSCHEM 198.
Journal Article
116 (23), pp. 5689 - 5697 (2012)
Competition between H···π and H···O Interactions in Furan Heterodimers. The Journal of Physical Chemistry A 199.
Journal Article
134 (19), pp. 8222 - 8230 (2012)
The Phenoxyl Radical–Water Complex—A Matrix Isolation and Computational Study. Journal of the American Chemical Society 200.
Journal Article
14 (35), pp. 12193 - 12201 (2012)
Photochemical Dynamics of E-iPr-Furylfulgide. Physical Chemistry Chemical Physics