Quantum Chemistry
9,538 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 8929-8940 of 9,538
Ab-initio and density functional study of L- and D-forms of alanine and serine in gas phase and bulk aqueous medium.
Upadhyay DM, Rai AK, Rai DK, Singh AN, Kumar A
Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complex.
Rungrotmongkol T, Mulholland AJ, Hannongbua S
Analysis and Design of an Organic High Speed Digital Electro-Optic Switch
Ali Akbar Wahedy Zarch, Hassan Kaatuzian, Ahmad Ajdarzadeh Oskouei, Ahmad Amjadi
Anharmonic analysis of the vibrational spectrum of ketene by density functional theory using second-order perturbative approach.
Gupta VP
Association of heteronuclear molecules in a harmonic oscillator well
Jesper Fevre Bertelsen, Klaus Molmer
Atmospheric Pressure Microwave Assisted Heterogeneous Catalytic Reactions
Ken Belmore, LaTasha L Folmar, L Dalila Fondren, Katherine Lanier, Dugald McMillan, Christine A Simmer, Frank H Rudeseal, Tiffany Rudeseal, Gretchen Rudeseal, Prakash Bharara, Cynthia P Tidwell
Beam Wandering in the Atmosphere: The Effect of Partial Coherence
G. P. Berman, A. A. Chumak, V. N. Gorshkov
Binding and photochemistry of enantiomeric 2-(3-benzoylphenyl)propionic acid (ketoprofen) in the human serum albumin environment.
Monti S, Manet I, Manoli F, Sortino S
Blackbody radiation shift in a 43Ca+ ion optical frequency standard
Bindiya Arora, M. S. Safronova, Charles W. Clark
Calculation of transmission coefficients for some permeant molecules in human red cell and resting axolemma squid axon membranes.
Elkomoss SG, Pape A
Casimir-Lifshitz force out of thermal equilibrium
Mauro Antezza, Lev P. Pitaevskii, Sandro Stringari, Vitaly B. Svetovoy
Cavity cooling of translational and ro-vibrational motion of molecules: ab initio-based simulations for OH and NO
Markus Kowalewski, Giovanna Morigi, Pepijn W. H. Pinkse, Regina de Vivie-Riedle