標(biāo)題: Titlebook: Recent Advances of the Fragment Molecular Orbital Method; Enhanced Performance Yuji Mochizuki,Shigenori Tanaka,Kaori Fukuzawa Book 2021 Spr [打印本頁(yè)] 作者: cerebral-cortex 時(shí)間: 2025-3-21 19:30
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書目名稱Recent Advances of the Fragment Molecular Orbital Method影響因子(影響力)學(xué)科排名
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書目名稱Recent Advances of the Fragment Molecular Orbital Method網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Recent Advances of the Fragment Molecular Orbital Method被引頻次
書目名稱Recent Advances of the Fragment Molecular Orbital Method被引頻次學(xué)科排名
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書目名稱Recent Advances of the Fragment Molecular Orbital Method年度引用學(xué)科排名
書目名稱Recent Advances of the Fragment Molecular Orbital Method讀者反饋
書目名稱Recent Advances of the Fragment Molecular Orbital Method讀者反饋學(xué)科排名
作者: GRAVE 時(shí)間: 2025-3-22 00:12 作者: 情愛 時(shí)間: 2025-3-22 00:42
Shigenori Tanakaw has frequently been heard, especially during the Reagan administration, and a combination of change in the Soviet Union, new developments in arms control and new US strategic initiatives has created a certain unease in the relations of the USA with its European allies. European economic strength i作者: 極端的正確性 時(shí)間: 2025-3-22 06:01 作者: 都相信我的話 時(shí)間: 2025-3-22 12:17 作者: aggrieve 時(shí)間: 2025-3-22 15:02 作者: Fibroid 時(shí)間: 2025-3-22 17:19
Yuji Mochizuki,Tatsuya Nakano,Kota Sakakura,Yoshio Okiyama,Hiromasa Watanabe,Koichiro Kato,Yoshinobuhe links they provide to the outside world. Port-cities in Europe have faced significant change, first with the loss of heavy industry, emergence of Eastern European democracies, and the widening of the European Community (now European Union) during the second half of the twentieth century, and more作者: 數(shù)量 時(shí)間: 2025-3-22 21:54
Takeshi Ishikawabased on the principle of electoral competition. Periodic elections gave assurance of at least a hypothetical alternation of power and ensured governmental accountability. Most of these party systems reflected a democratic tradition that stretched back into the late nineteenth century. Some were a c作者: Dna262 時(shí)間: 2025-3-23 03:20 作者: 尖叫 時(shí)間: 2025-3-23 08:33
based on the principle of electoral competition. Periodic elections gave assurance of at least a hypothetical alternation of power and ensured governmental accountability. Most of these party systems reflected a democratic tradition that stretched back into the late nineteenth century. Some were a c作者: Foam-Cells 時(shí)間: 2025-3-23 10:42 作者: conceal 時(shí)間: 2025-3-23 15:17 作者: 排名真古怪 時(shí)間: 2025-3-23 18:46 作者: 無(wú)聊點(diǎn)好 時(shí)間: 2025-3-24 00:01 作者: inconceivable 時(shí)間: 2025-3-24 03:57
Sundaram Arulmozhiraja,Hiroaki Tokiwa,Hitoshi Shimanodation of CBT. Following this the authors describe and consider key methods and techniques used commonly by CB therapists or P/MH nurses who wish to use CBT skills and interventions, namely, the therapeutic relationship, assessment strategies, case conceptualisation, structure, cognitive techniques 作者: Organization 時(shí)間: 2025-3-24 08:00 作者: 抵押貸款 時(shí)間: 2025-3-24 11:02 作者: prosthesis 時(shí)間: 2025-3-24 18:00
Application of FMO for Protein–ligand Binding Affinity Predictionl pIC. values and FMO-based interaction energies . calculated based on MM-optimized X-ray crystal structures were .?=?0.28 and .?=?0.53 for internal project A and Pim1, respectively. Using the ensemble FMO method, the correlation for internal project A improved (.?=?0.67), whereas the correlation fo作者: Spinal-Tap 時(shí)間: 2025-3-24 20:48 作者: 規(guī)范就好 時(shí)間: 2025-3-25 01:36
Elucidating the Efficacy of Clinical Drugs Using FMO(RI-MP2) level of theory utilizing correlation consistent double-zeta (cc-pVDZ) basis set. The results discussed here clearly reveal that interfragment interaction energies obtained using FMO calculations correlate significantly with the activity of the drugs and hence the activity of the drugs can 作者: 搖曳 時(shí)間: 2025-3-25 07:18
Book 2021nvironments has been explored as well. In this book, a historical review of FMOand comparison to other methods are provided in Part I (two chapters) and major FMO programs (GAMESS-US,?ABINIT-MP, PAICS and OpenFMO) are described in Part II (four chapters). dedicated to pharmaceutical activities (twel作者: Postmenopause 時(shí)間: 2025-3-25 09:24 作者: 松果 時(shí)間: 2025-3-25 12:41
Kaori Fukuzawa,Shigenori Tanaka,Yoichiro Yagi,Noriyuki Kurita,Norihito Kawashita,Kenichiro Takaba,Te作者: Facet-Joints 時(shí)間: 2025-3-25 16:25
Chiduru Watanabe,Hirofumi Watanabe,Yoshio Okiyama,Daisuke Takaya作者: PALSY 時(shí)間: 2025-3-25 20:54
Recent Advances of the Fragment Molecular Orbital MethodEnhanced Performance作者: TATE 時(shí)間: 2025-3-26 03:05
Recent Advances of the Fragment Molecular Orbital Method978-981-15-9235-5作者: FICE 時(shí)間: 2025-3-26 08:05
re successful, and the encroachment of central power into many aspects of life was both quantitatively and qualitatively different from the type of power enjoyed by earlier Renaissance-style princes. Importantly, as Marc Raeff has pointed out, ‘Centralization had the paradoxical result of fostering 作者: 親愛 時(shí)間: 2025-3-26 09:57
m was pejoratively linked with unlimited power, tyranny, despotism, fanaticism, the rule of one against the interests of the many. Until recently some historians have been willing to accept the harsh judgement registered by the French revolutionaries and English radicals against the first promoters 作者: sundowning 時(shí)間: 2025-3-26 15:23
Shigenori Tanaka’s defence-led ‘New Deal’ is overwhelming the world economy, the USA is putting pressure on its allies to take up a larger part of the burden of their defence. The advent of . is downgrading European perceptions of the Soviet threat, and enhanced the attractions of the Soviet Union as a potential ma作者: antenna 時(shí)間: 2025-3-26 20:19 作者: 投射 時(shí)間: 2025-3-26 20:57
on into a return to the place of origin)- might be perceived as a process rather than an event. Unlike other basic demographic phenomena such as birth, death or even the formation of a conjugal union, migration occurs in a time interval (sometimes of considerable duration), rather than at a particul作者: vocation 時(shí)間: 2025-3-27 04:53
Dmitri G. Fedorovon into a return to the place of origin)- might be perceived as a process rather than an event. Unlike other basic demographic phenomena such as birth, death or even the formation of a conjugal union, migration occurs in a time interval (sometimes of considerable duration), rather than at a particul作者: 愉快嗎 時(shí)間: 2025-3-27 08:49 作者: 武器 時(shí)間: 2025-3-27 10:39
Takeshi Ishikawarelationship between stability and conditions of optimum representation, such as electoral law, universal suffrage and the nature of party structures. This continuous political learning is crucial to shaping democratic behaviour and removing the uncertainty that may be inherent during the early day 作者: 煩人 時(shí)間: 2025-3-27 15:22
Hirotaka Kitoh-Nishioka,Hiroaki Umeda,Yasuteru Shigetarelationship between stability and conditions of optimum representation, such as electoral law, universal suffrage and the nature of party structures. This continuous political learning is crucial to shaping democratic behaviour and removing the uncertainty that may be inherent during the early day 作者: ostensible 時(shí)間: 2025-3-27 19:53
relationship between stability and conditions of optimum representation, such as electoral law, universal suffrage and the nature of party structures. This continuous political learning is crucial to shaping democratic behaviour and removing the uncertainty that may be inherent during the early day 作者: Limpid 時(shí)間: 2025-3-27 21:59 作者: 修飾語(yǔ) 時(shí)間: 2025-3-28 04:46
Kenichiro TakabaAges. Thus while this version of European Prehistory is a new book, however, it still incorporates some data from the 1978 version, particularly in The Present Environment and Neolithic chapters. Like its predecessor, this edition is structured around selected general topics, such as technology, tra作者: 明確 時(shí)間: 2025-3-28 07:37 作者: 機(jī)警 時(shí)間: 2025-3-28 12:03 作者: 歡樂中國(guó) 時(shí)間: 2025-3-28 17:28
Teruki Honmary, three indices and a comprehensive bibliography, as well as an extensive collection of maps, chronological tables and photographs.?.978-1-4614-6232-3978-1-4419-6633-9Series ISSN 1568-2722 Series E-ISSN 2730-6984 作者: Hearten 時(shí)間: 2025-3-28 21:00 作者: 精致 時(shí)間: 2025-3-28 23:56 作者: Confess 時(shí)間: 2025-3-29 04:31
https://doi.org/10.1007/978-981-15-9235-5Fragment molecular orbital; FMO; Parallel computation; Interaction analyses; Structure based drug design作者: TIGER 時(shí)間: 2025-3-29 10:27
978-981-15-9237-9Springer Nature Singapore Pte Ltd. 2021作者: innovation 時(shí)間: 2025-3-29 13:41 作者: 性行為放縱者 時(shí)間: 2025-3-29 19:31
Comparison of Various Fragmentation Methods for Quantum Chemical Calculations of Large Molecular Sysficient order-. quantum chemical calculations of large (bio)molecular systems. After briefly illustrating the features of various fragmentation methods, their . and . are discussed from the viewpoints of cost, accuracy, viability, and versatility.作者: 向宇宙 時(shí)間: 2025-3-29 20:24
The ABINIT-MP Programunique features such as a variety of efficient correlated methods and hybrid parallelism. Additionally, an associated graphical user interface (named as BioStation Viewer) has been provided for end-users. In this chapter, we summarize the current features of the ABINIT-MP program. Plans and activities of future developments are addressed as well.作者: 營(yíng)養(yǎng) 時(shí)間: 2025-3-30 02:23
Recent Development of the Fragment Molecular Orbital Method in GAMESSThe development of the fragment molecular orbital (FMO) method in GAMESS is reviewed, summarizing implemented physical properties and computational methods. Algorithmic improvements of FMO to reduce memory requirements and to describe dipole moments in solution are also presented.作者: promote 時(shí)間: 2025-3-30 08:05
Yuji Mochizuki,Shigenori Tanaka,Kaori FukuzawaCompiles a number of realistic and illustrative applications with color figures.Covers industrial activities of pharmaceutical companies.Addresses extensions of FMO to future computational environment作者: Stricture 時(shí)間: 2025-3-30 11:57
PAICS: Development of an Open-Source Software of Fragment Molecular Orbital Method for BiomoleculeM?ller–Plesset perturbation theory with the RI approximation (RI-MP3) was implemented, which enables us to calculate higher order electron correlation energy of biomolecules in a reasonable computational time. This chapter introduces the development of PAICS, by focusing on the FMO-RI-MP2 and MP3.作者: nitroglycerin 時(shí)間: 2025-3-30 13:49
Open-Architecture Program of Fragment Molecular Orbital Method for Massive Parallel Computing (OpenFmation, including how to download, compile, and execute it with command-line options, and several examples used as a tutorial and template for the users can be found in the OpenFMO official website, ..作者: dyspareunia 時(shí)間: 2025-3-30 19:52 作者: 含糊 時(shí)間: 2025-3-30 21:15
