共 50 条
- [41] chemf: A purely functional chemistry toolkitJOURNAL OF CHEMINFORMATICS, 2012, 4Hoeck, StefanRiedl, Rainer
- [42] Purely quantum effects in fissionBulletin of the Russian Academy of Sciences: Physics, 2007, 71 (3) : 346 - 349V. E. BunakovS. G. Kadmensky
- [43] chemf: A purely functional chemistry toolkitJournal of Cheminformatics, 4Stefan HöckRainer Riedl
- [44] GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry CalculationsJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 8 (09) : 3072 - 3081Carvalho Maia, Julio DanielUrquiza Carvalho, Gabriel AiresMangueira, Carlos Peixoto, Jr.Santana, Sidney RamosFormiga Cabral, Lucidio AnjosRocha, Gerd B.
- [45] COMPARISON OF SEMIEMPIRICAL CLASSICAL AND SEMIEMPIRICAL QUANTUM MECHANICAL CALCULATIONS ON ACETYLCHOLINEJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (23) : 8020 - +FROIMOWITZ, MGANS, PJ
- [46] INTRODUCTION TO PAPER SYMPOSIUM ON SEMIEMPIRICAL METHODS IN QUANTUM-CHEMISTRY AND SOLID-STATE THEORYINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 44 (04) : 421 - 422LOWDIN, POZERNER, M
- [47] Modeling of the reaction of polyvinyl alcohol with water using semiempirical quantum chemical methods of computer chemistryFIBRE CHEMISTRY, 2001, 33 (03) : 238 - 241Gribanov, VYIzmailov, BAAbronin, IA
- [48] Modeling of the Reaction of Polyvinyl Alcohol with Water Using Semiempirical Quantum Chemical Methods of Computer ChemistryFibre Chemistry, 2001, 33 : 238 - 241V. Yu. GribanovB. A. IzmailovI. A. Abronin
- [49] Semiempirical quantum mechanics in biologyABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 23 - 23Merz, Kenneth M., Jr.
- [50] Implementation of replica-exchange umbrella sampling in the DFTB plus semiempirical quantum chemistry packageCOMPUTER PHYSICS COMMUNICATIONS, 2016, 204 : 1 - 10Ito, ShingoIrle, StephanOkamoto, Yuko