TY - CHAP
T1 - Developments of FMO Methodology and Graphical User Interface in ABINIT-MP
AU - Nakano, Tatsuya
AU - Mochizuki, Yuji
AU - Kato, Akifumi
AU - Fukuzawa, Kaori
AU - Ishikawa, Takeshi
AU - Amari, Shinji
AU - Kurisaki, Ikuo
AU - Tanaka, Shigenori
N1 - Publisher Copyright:
© 2009 by Taylor and Francis Group, LLC.
PY - 2009/1/1
Y1 - 2009/1/1
N2 - The application of quantum chemical methods to large molecules such as proteins and DNAs remains a great challenge in computational chemistry. The calculations of electronic structures for biomolecules are usually difficult due to their huge size, and some models are needed to realize quantum mechanical calculations on such systems.
AB - The application of quantum chemical methods to large molecules such as proteins and DNAs remains a great challenge in computational chemistry. The calculations of electronic structures for biomolecules are usually difficult due to their huge size, and some models are needed to realize quantum mechanical calculations on such systems.
UR - http://www.scopus.com/inward/record.url?scp=77952751227&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=77952751227&partnerID=8YFLogxK
U2 - 10.1201/9781420078497-6
DO - 10.1201/9781420078497-6
M3 - Chapter
AN - SCOPUS:77952751227
SN - 9781420078480
SP - 37
EP - 62
BT - The Fragment Molecular Orbital Method
PB - CRC Press
ER -