TmoleX: An advanced graphical user interface for TURBOMOLE with cMOPAC even for others in Windows, Linux & MacOSX. Client version of GUI is always free. Demo versions of TURBOMOLE with TmoleX are available at https://ift.tt/2uZf0Vd The DEMO version is limited to input structures containing 1-12, 50-60, or 110-120 atoms. #CompChem #DFT #Turbomole #MOPAC #GUI
TmoleX: An advanced graphical user interface for TURBOMOLE with cMOPAC even for others in Windows, Linux & MacOSX. Client version of GUI is always free. Demo versions of Turbomole with TmoleX are available at https://ift.tt/2uZf0Vd The DEMO version is limited to input structures containing 1-12, 50-60, or 110-120 atoms. #CompChem #DFT #Turbomole #MOPAC #GUI #Zastra #Turbomole
Webpage: https://ift.tt/2LX2Rqk
Bengaluru: July 29, 2018 at 09:34AM

Chemistry, information and Frank: a tribute to Frank Brown

Webpage: https://ift.tt/2LPHOpv
Bengaluru: July 26, 2018 at 10:35AM

Webpage: https://ift.tt/2jrsQM8
Bengaluru: July 25, 2018 at 10:24PM

TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and fu...
Turbomole 7.3 released TURBOMOLE V7.3 has been released (July 2018) New features: PNO-CCSD(T0) and PNO-CCSD(T) energies for closed-shell systems [1] new DFT-D4 dispersion correction based on xTB [2] modernized NMR (with RI-J, COSMO, meta... Source: Turbomole Forum
Webpage: https://ift.tt/2JrIKhV
Bengaluru: July 16, 2018 at 08:10PM

Released on July 12th 2018
TURBOMOLE 7.3v released. #DFT #TDDFT #TDHF #CCSD #D4 #X2C
Webpage: https://ift.tt/2uB4wue
Bengaluru: July 15, 2018 at 11:03PM

Webpage: https://ift.tt/2jrsQM8
Bengaluru: July 12, 2018 at 12:04AM

Sequences and Assay Data Captured in a Single Platform CDD Vault recently updated the text readout size (now 65,000 characters) for both the Synonyms and Protocol Readouts to lay the groundwork for assisting researchers using biologics instead of traditional small molecules. CDD Vault has a powerful storage and query engine to store and mine your bioinformatics data. Now sequences and metadata can be directly associated with CDD’s best-in-class Biological Assay tools. #Bioinformatics #NGS #Sequence #Cloud #Data #AI
Webpage: https://ift.tt/2L1R1hw
Bengaluru: July 11, 2018 at 10:22PM