László Füsti-Molnár
Scientific Software International (United States)(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, X-ray Diffraction in Crystallography, Spectroscopy and Quantum Chemical Studies, Protein Structure and Dynamics, Computational Drug Discovery Methods
Most-Cited Works
- → Advances in molecular quantum chemistry contained in the Q-Chem 4 program package(2014)3,103 cited
- → Report on the sixth blind test of organic crystal structure prediction methods(2016)594 cited
- → Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)(2010)503 cited
- → The Fourier transform Coulomb method: Efficient and accurate calculation of the Coulomb operator in a Gaussian basis(2002)96 cited
- → Importance of Dispersion and Electron Correlation in ab Initio Protein Folding(2009)83 cited
- → Accurate molecular integrals and energies using combined plane wave and Gaussian basis sets in molecular electronic structure theory(2002)80 cited
- → New Versions of Approximately Extensive Corrected Multireference Configuration Interaction Methods(1996)65 cited
- → High-quality theoretical potential energy surface for Be2 by using the multireference averaged quadratic coupled-cluster (MR-AQCC) method and large basis sets(1996)48 cited
- → Fast and accurate Coulomb calculation with Gaussian functions(2005)34 cited
- → Photodissociation of HOBr. Part II. Calculation of photodissociation cross-sections and photofragment quantum state distributions for the first two UV absorption bands(2001)29 cited