検索結果 25 件
紙図書
国立国会図書館
- 要約等...ecent advances of the fragment m......od, consisting of 5 parts and a total of 30 chapters wr......ipal advantage of FMO calculatio......l developments of FMO have been ...... current trend of the parallel c......ng facility is of the many-core ......torical review of FMO and compar......rs). A variety of new applications with methodolo......tical textbook of the FMO method......y the chapters of greatest interest to them
- 内容細目Part 1: Positioning of FMO Fragment m......ion Comparison of various fragme......ds for quantum chemical calculations of large molecula......nt development of the fragment m......S: Development of An Open-Source Software of Fragment Molec......ecture Program of Fragment Molec......um Development of an automated F......o construction of FMO database Application of FMO to ligand ......by Combination of X-ray Crystal ......ction analysis of FABP4 inhibitors Application of FMO for protei......ecent Advances of In Silico Drug......grated Systems of Informatics an......g the efficacy of clinical drugs......MO Application of Fragment Molecular Orbital Ca...
紙図書
国立国会図書館
- 要約等...basic concepts of mathematical p......and monographs of mathematical p......ical selection of material, part......basic concepts of quantum mechan...... tend to think of natural phenom......lly. The study of light propagat......ctric media is of fundamental im......s on the basis of Maxwell equati......he latter half of the volume dea......ysics in terms of vectors and th...... as an example of chemical applications, quantum chemical treatment of methane is int......al explanation of Green functions and group theory. Methodology d......cists"--Page 4 of cover.
- 内容細目...d transmission of electromagneti......anonical forms of matrices 11. I......ators Part IV. Group theory and its chemical applications: 13. Introductory group theory 14. Symmetry groups 15. Representation theory of groups 16. Applications of group theory to physical chemistry.
紙図書
国立国会図書館
- 内容細目Reliability in calibration of geometric error of coordinate mea......logy Institute of Japan (NMIJ), ......onal Institute of Advanced Indus......bration method of the straightne......bration method of a large scale ......sment in multi-group approximation ......he calibration of a rainfall-runoff model / Hamou......and validation of a model using ......onal Institute of Water and Atmo......ation transfer of pls models usi......in, Department of Chemistry, Old......emistry: state of the art and applications / Werickson Fo......onal Institute of Metrology, Qua......), Directorate of Industrial and......logy, Division of Chemical Metrology, Rio de Ja...
紙図書
国立国会図書館
- 内容細目...lassical views of leadership and......rkplace, and professional advoca......rpersonal, and group communication ......oyees, and the chemically or psychologically impaired...
- 一般注記...ly for the use of students outside of the United States, Canada, Au...
紙図書
国立国会図書館
- 内容細目Of Volume 1 A per......o Fundamentals of organic chemis......transformation of foreign compou......kar Functional group biotransformat......inetic concept of maximum exposu......ing enzymes: a group of promiscuous ca......e M. Isin Role of biotransformat...... E. White Role of metabolism in ......K. Balani Role of biotransformat...... C. Dacus Role of cytochrome P45......hreys Contents of Volume 2 Theory and instrumentation of mass spectrome......Lu Application of triple-quadrup......identification of drug metabolit......nd Lin Xu Role of ion trap LC-MS......identification of drug metabolit......identification of unusual and novel metabolites...
紙図書
国立国会図書館
- 要約等...ed on a wealth of robust data th......ric properties of dipolar materi......anner. In many applications, reference mea......aracterization of the spectra of water-containing mixtures.--
- 内容細目...mental Aspects of Time Domain Pe.......3.1. Theories of Static Permitt......3.2. The Debye Theory of Static Permitt......ger Dielectric Theory 1.3.4. The Kirkwood Theory 1.3.5. The Frohlich Theory 1.4. Dynamical Theory of Dielectrics 1.......asic Principle of TDR 1.7.3. Sam...... 1.7.5. Choice of Time Window 1....... Determination of Relaxation Tim......cules With -OH Group 2.1. Introduct......aracterization of Binary Polar L......o or Sulfoxide Group and Hydroxyl Group 3.1. Introduct......tural Dynamics of Binary Mixture of Monohydroxyl A......roscopic Study of Molecular Inte......ructural Study of Binary Mixtures of Polar Liqu...
紙図書
国立国会図書館
- 内容細目...ifferentiation of Fundamental Eq.......2. Evaluation of Residual Funct......libria 2.10.2. Chemical Equilibria 2.1......irial Equation of State / J. P. ......ure Dependence of the Virial Coe......ion Dependence of the Virial Coe......3. Convergence of the Virial Ser......l Coefficients of Hard-Core-Squa......mic Properties of Gases 3.3.1. P.......4. Estimation of Second and Thi......1. Application of Intermolecular......aals Equations of State / Ioanni......Cubic Equation of State Formulat......Waals Equation of State (1873) 4......Kwong Equation of State (1949) 4......Kwong Equation of State (1972) 4......inson Equation of State (1976) 4.2.5. The Patel...
- 一般注記...national Union of Pure and Appli......al Association of Chemical Thermodynamics."
紙図書
全国の図書館
- 件名Chemistry, Physical and theoretical -- Mathematics Group theory Symmetry (Physics)
- 件名（識別子）Chemistry, Physical and theoretical -- Mathematics Group theory Symmetry (Physics)
紙図書
国立国会図書館
- 要約等...dbreaking path of its predecesso......second edition of the 'Social Wo...... full spectrum of social work practice.
- 内容細目...d generativity of social work pr......DAILY SCHEDULE OF SOCIAL WORKERS......elor in a nonprofit community-ba......ntial elements of private practi......wing standards of care guideline......ental health professionals / Alb...... accountable profession : the code of ethics, oversight by boards of directors, and...... social work professional / Fred......mizing the use of patient safety....... Fundamentals of brief treatmen......lient-centered theory and therapy / ......istical manual of mental disorde......cal assessment of bipolar disord......lines and uses of rapid assessme......with survivors of childhood trauma / Kathryn Ka...
紙図書
全国の図書館
- 件名Molecular theory Group theory
- 件名（識別子）Molecular theory Group theory
デジタル記事
全国の図書館
- 参照Eigenspectral analysis of pendant vertex......eighted graphs of linear chains,......l Eigenspectra of Some Weighted Graphs of Linear Chains and Cycles
- 並列タイトル等（連結）VIII. Topological aspects of oscillating chemical reactions [1]
- 並列タイトル等VIII. Topological aspects of oscillating chemical reactions [1]
デジタル記事
全国の図書館
- 出版者（掲載誌）American Chemical Society (ACS)
記事
全国の図書館
紙図書
国立国会図書館
- 件名Molecular theory. Group theory. Mecanica Quantica (Teoria Qu...
デジタル記事
全国の図書館
- 参照...e consequences of multiple odd-m......s Construction of Negatively Curved Cubic Carbo...
- 出版者（掲載誌）American Chemical Society (ACS)
紙図書
国立国会図書館
- 内容細目4803. Application of Impregnated Ch......Air Monitoring of Chemical Plant(Mitsuo N......onal Diffusion Theory Burnup Code(Ko......onal Diffusion Theory Burnup Code(Ko...... 4826. A Study of Group Constants for ......n Calculations of Fast Reactors(Tatsuzo Tone) 4...
紙図書
全国の図書館
- 件名Molecular theory Groups, Theory of
- 件名（識別子）Molecular theory Groups, Theory of
デジタル記事
全国の図書館
- 参照Stability of Multi-center B......ve Stabilities of 2<i>n</i> Fram......ranes Unifying Chemical Bonding Models for Boranes
- 出版者（掲載誌）American Chemical Society (ACS)
紙図書
全国の図書館
- 件名Molecular theory Group theory
- 件名（識別子）Molecular theory Group theory