Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag-2/graphene. Journal of chemical physics, (143)10:102804, AIP, 2015. [PUMA: ubs_10003 ubs_20003 ubs_30039 unibibliografie wos]
Influence of the Environment on the Oxidative Deamination of p-Substituted Benzylamines in Monoamine Oxidase. The Journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, (119)9:3678-3686, ACS, 2015. [PUMA: ubs_10003 ubs_20003 ubs_30039 unibibliografie wos]
PT-symmetric waveguide system with evidence of a third-order exceptional point. Physical review. A, Atomic, molecular, and optical physics, (95)5:053868, American Physical Society, 2017. [PUMA: mult ubs_10003 ubs_10008 ubs_20003 ubs_20014 ubs_30039 ubs_30131 ubs_30132 ubs_40066 ubs_40332 ubs_40375 unibibliografie wos]
Effects of pressure and magnetic field on the reentrant superconductor Eu(Fe0.93Rh0.07)2As2. Physical review. B, Condensed matter and materials physics, (95)19:195146, American Physical Society, 2017. [PUMA: mult ubs_10003 ubs_10008 ubs_20003 ubs_20014 ubs_30039 ubs_30127 ubs_40065 ubs_40326 unibibliografie wos]
Density functional theory study of the shallow boron impurity in 3C-SiC and comparison with experimental data. Physical review. B, Condensed matter and materials physics, (93)16:165203, American Physical Society, 2016. [PUMA: ubs_10003 ubs_20003 ubs_30039 ubs_40066 unibibliografie wos]
Hardness maximization or equalization? New insights and quantitative relations between hardness increase and bond dissociation energy. Journal of molecular modeling, (23)7:217, Springer, 2017. [PUMA: ubs_10003 ubs_20003 ubs_30039 unibibliografie wos]
Grain Surface Models and Data for Astrochemistry. Space science reviews, (212)1/2:1-58, Springer, 2017. [PUMA: oa ubs_10003 ubs_20003 ubs_30039 unibibliografie wos]
The Stabilizing Effects in Gold Carbene Complexes. Angewandte Chemie. International edition, (54)35:10336-10340, Wiley-VCH, 2015. [PUMA: ubs_10003 ubs_20003 ubs_30039 unibibliografie wos]
High Oxidation State Molybdenum N-Heterocyclic Carbene Alkylidyne Complexes: Synthesis, Mechanistic Studies, and Reactivity. Chemistry - a European journal, (23)61:15484-15490, Wiley-VCH, 2017. [PUMA: mult ubs_10003 ubs_20003 ubs_30034 ubs_30036 ubs_30039 ubs_40064 ubs_40065 ubs_40066 unibibliografie wos]
Light Sources for Photochemical Processes - Estimation of Technological Potentials. Chemie - Ingenieur - Technik, (89)9:1159-1173, Wiley-VCH, 2017. [PUMA: ubs_10003 ubs_20003 ubs_30039 unibibliografie wos]
Doping mechanism of MoO3 in 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl: A photoelectron spectroscopic study. Physica status solidi. B, Basic solid state physics, (253)9:1697-1706, Wiley-VCH, 2016. [PUMA: ubs_10003 ubs_20003 ubs_30039 ubs_40066 unibibliografie wos]
Asymmetric Ketone Reduction by Imine Reductases. ChemBioChem, (18)3:253-256, Wiley-VCH, 2017. [PUMA: mult ubs_10003 ubs_20003 ubs_30039 ubs_30187 ubs_40065 ubs_40066 ubs_40353 unibibliografie wos]
Synergistic Substrate and Oxygen Activation in Salicylate Dioxygenase Revealed by QM/MM Simulations. Angewandte Chemie. International edition, (55)3:1168-1172, Wiley-VCH, 2016. [PUMA: ubs_10003 ubs_20003 ubs_30039 ubs_40065 unibibliografie wos]
An Aluminum Fluoride Complex with an Appended Ammonium Salt as an Exceptionally Active Cooperative Catalyst for the Asymmetric Carboxycyanation of Aldehydes. Angewandte Chemie. International edition, (56)14:4056-4060, Wiley-VCH, 2017. [PUMA: mult ubs_10003 ubs_20003 ubs_30034 ubs_30039 ubs_40056 ubs_40065 ubs_40066 unibibliografie wos]
Electron Flow in Reaction Mechanisms-Revealed from First Principles. Angewandte Chemie. International edition, (54)18:5518-5522, Wiley-VCH, 2015. [PUMA: ubs_10003 ubs_20003 ubs_30039 unibibliografie wos]
Synthesis of Cembranoid Analogues through Ring-Closing Metathesis of Terpenoid Precursors: A Challenge Regarding Ring-Size Selectivity. Chemistry - a European journal, (21)35:12396-12404, Wiley-VCH, 2015. [PUMA: mult ubs_10003 ubs_20003 ubs_30034 ubs_30039 unibibliografie wos]
Instanton Rate Constant Calculations Close to and above the Crossover Temperature. Journal of computational chemistry, (38)30:2570-2580, Wiley, 2017. [PUMA: ubs_10003 ubs_20003 ubs_30039 ubs_40065 unibibliografie wos]
N-2 Binding to the FeMo-Cofactor of Nitrogenase. Zeitschrift für anorganische und allgemeine Chemie, (641)1:118-122, Wiley-VCH, 2015. [PUMA: ubs_10003 ubs_20003 ubs_30039 ubs_40065 unibibliografie wos]
C(sp3)-H Bond Activation by Vinylidene Gold(I) Complexes: A Concerted Asynchronous or Stepwise Process?. Chemistry - a European journal, (23)63:16097-16103, Wiley-VCH, 2017. [PUMA: ubs_10003 ubs_20003 ubs_30039 ubs_40065 unibibliografie wos]
Photolysis of Carbonyl Diisocyanate: Generation of Isocyanatocarbonyl Nitrene and Diazomethanone. Chemistry : an Asian journal, (11)20:2953-2959, Wiley-VCH, 2016. [PUMA: ubs_10003 ubs_20003 ubs_30039 ubs_40066 unibibliografie wos]