- Out-of-Stock
Products
Categories
- Main categories
-
- 3D PRINTING
- ACADEMIC OFFER
- ARDUINO
- AUTOMATION
- BOOKS
- DIY KITS
- AVT kits
- Audio
- Car
- Chargers
- Clocks, timers and schedule switches
- Communication
- Converters
- Development kits and modules
- Displays
- Electronic games
- Generators
- Hobbies and fun
- House
- Interfaces
- Light effects
- meters
- PC
- Power Supplies
- Pre-programmed circuits
- Printed circuit boards (PCB)
- Programmers
- Regulators, controllers
- Remote control
- Starter sets Ośla Łączka
- Starting sets for beginners
- Workshop tools
- Audio
- Other sets
- TOP-Q kits
- Totem
- UGears
- Velleman
- AVT kits
- EBOOKS
- ELECTRONICS
- Cables
- Cameras and accessories
- Communication
- Conductive materials
- Connectors
- ARK connectors (Terminal Block)
- Coaxial connectors (RF)
- Connectors
- Crocodile clip
- D-Sub drawer connectors
- DC power connectors
- FFC/FPC ZIF connectors
- Goldpin connectors
- IDC connectors
- JACK connectors
- JST connectors
- Jumpers
- Memory cards slots
- Other connectors
- Pogo pin
- RJ45 sockets
- Slip ring connector
- Supports
- Szybkozłącza
- USB connectors
- Cooling
- Displays
- Electronic modules
- A/D and D/A converters
- Audio
- Barcode readers
- CAN converters
- Converters USB - UART / RS232
- Data logger
- DDS/PLL generators
- Digital potentiometers
- Encoders
- Expanders of the I/O
- Fingerprint readers
- HMI modules
- Image and video
- JTAG accessories
- Keyboards, buttons
- LED drivers
- Memory card readers
- Memory modules
- Modules with power outputs
- Motor controllers
- Power modules
- RS485 converters
- RTC modules
- Servo Controllers
- TSOP infrared receivers
- USB Converters - I2C / 1-Wire / SPI
- Voltage converters
- Gadgets
- GPS
- Intelligent clothes
- LED - diodes, displays, stripes
- Luminous wires and accessories
- Memory cards and other data storages
- Passive elements
- PC accessories
- Printers
- Prototype boards
- Semiconductors
- A/C converters (ADC)
- Analog systems
- Audio systems
- Bridge rectifiers
- Button
- D/A Converters (DAC)
- DDS synthesizers
- Digital circuits
- Diodes
- Drivers of motors
- DSP microprocessors
- Energy counters
- Energy harvesting
- ESD security
- IGBT drivers and bridges
- Interface systems
- LED drivers
- Logic converters
- Memory
- Microcontrollers
- Optotriacs and optocouplers
- Other
- PLL generators
- Power systems
- Programmable systems
- Resetting systems
- RF systems
- RTC systems
- Sensors
- SoC systems
- Timery
- Touch sensors
- Transistors
- Sensors
- Accelerometers
- Air humidity sensors
- Air quality sensors
- Current sensors
- Distance sensors
- Flow sensors
- Gas sensors
- Gyroscopes
- Hall sensors
- Humidity sensors
- Infrared sensors
- Light and color sensors
- Liquid level sensors
- Magnetic sensors (compasses)
- Medical sensors
- Motion sensors
- PH sensors
- Position sensors
- Pressure sensors
- Pressure sensors
- Reflection sensors
- Sensors 6DOF/9DOF/10DOF
- Sensors of liquid quality
- Temperature sensors
- Vibration sensors
- Sound transducers
- Switches and buttons
- Cables
- INTERNET OF THINGS (IoT)
- MECHANICS
- POWER
- R/C MODELLING
- RASPBERRY PI
- Accessories for Raspberry Pi
- Audio video cables for Raspberry Pi
- Case Raspberry Pi
- Cooling for Raspberry Pi
- Displays for Raspberry Pi
- Extension modules for Raspberry Pi
- Memory cards for Raspberry Pi
- Power for Raspberry Pi
- Raspberry Pi 3 model A+
- Raspberry Pi 3 model B
- Raspberry Pi 3 model B+
- Raspberry Pi 4 model B
- Raspberry Pi 400
- Raspberry Pi 5
- Raspberry Pi cameras
- Raspberry Pi Compute Module
- Raspberry Pi model A/ B+/2
- Raspberry Pi Pico
- Raspberry Pi prototyping
- Raspberry Pi Zero
- Raspberry Pi Zero 2 W
- RETIRED PRODUCTS
- ROBOTICS
- SALE
- SOFTWARE
- STARTER KITS, PROGRAMMERS, MODULES
- Alchitry FPGA
- Altera FPGA
- Analog electronics
- Atmel SAM
- Atmel Xplain
- AVR
- Banana Pi
- BeagleBone
- chipKIT
- Coral
- CPLD Xilinx
- Cubieboard
- DFRobot FireBeetle
- Feather
- Freedom (Kinetis)
- FriendlyELEC
- HummingBoard
- Intelligent clothes
- Kit with a book
- LattePanda
- LPC (NXP)
- M5Stack
- Micro:bit
- Nvidia Jetson
- Odroid
- ODYSSEY
- Orange Pi
- Other development kits
- Peripheral modules
- PIC
- Raisonance
- Raspberry Pi RP2040
- RFID
- RISC-V
- SBC Embest
- SBC MYIR
- SBC others
- SBC UDOO
- Segger programmers
- SoMLabs
- Sparkfun MicroMod
- STM32
- STM32 Discovery
- STM32 MP1
- STM32 Nucleo boards
- STM8
- Teensy
- Universal programmers
- WRTNode
- Xilinx FPGAs
- WORKSHOP
- Adhesives and gluers
- Anti-static mats (ESD)
- Chemistry
- CNC milling machines
- Crimping tools
- Dispensing needles
- Drills
- Files
- Generators
- Handles, magnifiers
- Heat-shrink tubing
- Insulation strippers
- Keys
- Knives and scissors
- Laboratory power supplies
- Laminates
- Measuring devices
- Mikroskopy
- Mini drills and grindrers
- Organizers
- Oscilloscopes and accessories
- Pliers and pincers
- Riveting tools and rivets
- Screwdrivers
- SMD Accessories
- Soldering
- Tapes (aluminum, kapton, copper, insulating)
- Tweezers
- Ultrasonic cleaners
- Vices
- 3D PRINTING
New products
New products
Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM / MM Methods
Free shipping
free shipping in Poland for all orders over 500 PLN
Same day shipping
If your payment will be credited to our account by 11:00
14 days for return
Each consumer can return the purchased goods within 14 days
* Publishes articles, invited reviews and proceedings of major international conferences and workshops
* Written by leading international researchers in quantum and theoretical chemistry
* Highlights important interdisciplinary developments
1
Implementing Quantum Mechanics into Molecular Mechanics Combined QM / MM Modeling Methods
- Aatto Laaksonen * and Yaoquan Tu
2
Extending the Range of Computational
Spectroscopy by QM / MM Approaches.
Time-dependent and Time-independent routes
- Vincenzo Barone
3
Use of the Average Solvent Potential Approach in the Study of Solvent Effects
- Manuel A. Aguilar *, Ignacio Fdez. Galván, Aurora Muñoz-Losa, Catalina Soriano-Correa, M. Luz Sánchez, M. Elena Martín
4
2Laboratorio de Química Computacional. FES Zaragoza, Universidad Nacional Autónoma de México (UNAM), 09230 Iztapalapa, México, DF (Mexico)
- Benedito Jose Costa Cabral * and Ricardo A. Mata
5
Molecular dynamics of polypeptides and their inclusion compounds with b-cyclodextrin in aqueous solution using DC-SCC-DFTB / UFF approach
- Hélio Anderson Duarte *, Guilherme Ferreira de Lima, Thomas Heine
6
Computer simulations of photobiological
processes: the effect of the protein
environment
- Gerrit Groenhof *, Martial Boggio-Pasqua, Michael A. Robb
7
Quantum Mechnical Charge Field Molecular Dynamics - a non-parametrised first principle approach to liquids and solutions
- Bernd N. Rode *, Thomas S. Hofer, Andreas B. Pribil, Bernhard R. Randolf
8
Applications of mixed quantum / classical
trajectories to the study of nuclear quantum
e ects in chemical reactions and vibrational
relaxation processes
- Juliana Palma *, Gustavo Pierdominici-Sottile, Sebasti an Fern andez Alberti
9
Development of a Quantum Chemical Method Combined with
a Theory of Solutions: Free Energy Calculation for Chemical
Reactions by Condensed Phase Simulations
- Hideaki Takahashi *, Nobuyuki Matubayasi, Masayoshi Nakano
10
A Guide to QM / MM Methodology and Applications
- Dennis R. Salahub *, Sergei Yu Noskov, Javier Edouardo Cuervo, Bogdan Lev, Rui Zhang
Other products in the same category (16)
No product available!
No product available!
No product available!
No product available!
No product available!
No product available!
No product available!
Michał Lisowski
No product available!
Pin strip straight in black, double-breasted, female, 2x5, pitch 1.27mm, THT, RoHS. PBD10S
No product available!
Capacitive Touch Keypad Designed for Raspberry Pi (all versions), 16 touch keys, Interface I2C
No product available!
No product available!
SmartDriveDuo MDDS30 - two-channel driver for DC motors
No product available!
No product available!
No product available!
No product available!
S. Niestępski M. Parol J. Pasternakiewicz T. Wiśniewski
No product available!