²é¿´: 35158  |  »Ø¸´: 68
±¾Ìû²úÉú 2 ¸ö ICEPI £¬µã»÷ÕâÀï½øÐв鿴
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

mbchen

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

[½»Á÷] ¸øÎïÀí»¯Ñ§½çʦÉúÍƼö¼¸±¾ÊéÒÑÓÐ52È˲ÎÓë

¸øÎïÀí»¯Ñ§½çʦÉúÍƼö¼¸±¾Êé

»¯Ñ§ÖУ¬¶àÊýרҵǿµ÷֪ʶÔÚ¹ã¶ÈÉϵÄÀÛ»ý£¬ÉÙÊýרҵȴǿµ÷֪ʶÔÚÉî¶ÈÉϵÄÌá¸ß£¬¼´ÖªÊ¶µÄ¡°ÖÊ¡±µÄÌáÉý¡£ÎïÀí»¯Ñ§×¨ÒµÊôÓÚºóÃæÕâÉÙÊýרҵ֮һ¡£ÈËÃÇÔÚÎﻯѧÊõµÄ½ø²½Öл¹¾­³£»áÃæÁÙÄÑÒÔ¿çÔ½µÄ¼¸µÀ¿²¡£Îª´Ë£¬ÓеÄÊéÊDZضÁµÄ£¬ÉõÖÁҪϵͳµØ¾«¶Á£¨ÕâµãÓëÆäËû»¯Ñ§×¨ÒµºÜ²»Ò»Ñù£©¡£²»¶Á¼¸±¾¹Ø¼üµÄÊéÊDz»Ðеġ£·ñÔò»áµ¼ÖÂѧÊõÄ¿¹âÂäºó£¬±§²ÐÊØȱ¡£ÒÔϸøÎïÀí»¯Ñ§½çʦÉúÍƼö¼¸±¾Êé

£¨1£©ÎïÀí»¯Ñ§Ï°Ì⼯£º
[1] Noyes, A. A.; Sherrill, M. S., A Course of Study in Chemical Principles, New York: Macmillan, 1st ed. in 1922, 2nd ed. in 1938.
[2] Adamson, A.W., Understanding Physical Chemistry, Benjamin, 1964; Addison Wesley, 1969¡£ÖÐÒë±¾£º¹ùÇàËɵÈÒ룬¡¶ÎïÀí»¯Ñ§¾«Îö¡·£¬ÄÚÃɹÅÈËÃñ³ö°æÉ磬1987Äê¡£
¡¾NoyesÊÇOstwaldµÄµÕ´«µÜ×Ó£¬ÃÀ¹úÎïÀí»¯Ñ§Ñ§ÅɵĴ´Ê¼ÈË¡£ËûÕâ±¾ÊéµÃµ½ºÃ¼¸´úѧÕßÔÞÉÍ£¬°üÀ¨Ðì¹âÏÜ¡¢L. Pauling¡£µ«±Ï¾¹Äê´ú¾ÃÔ¶£¬¹ÊÎÒÍƼöAdamsonµÄÊé¡£70Äê´úÖÐÆÚ£¬ÎÒ°Ñ´ËÊéÈ«²¿Ï°Ìâ×öÒ»±é£¬Ç°ºó¹áͨÏëÒ»±é£¬ÔٰѱʼǷ­Ò»±é¡£Èý±éÖ®ºó£¬´Ó´Ë¾Í²»ÔÙÓб»¹ØÔÚÎﻯÃÅÍâµÄ¸Ð¾õÁË¡£¡¿

£¨2£©ÈÈÁ¦Ñ§£º
[3] Callen, H. B., Thermodynamics and An Introduction to Thermostatistics, 2nd. Ed., John Wiley & Sons, New York, 1985.
¡¾60Äê´úÖÁ½ñ£¬´ËÊ黹ÊÇÃÀ¹úÎïÀíϵÑо¿ÉúÈÈÁ¦Ñ§µÄÍ·ÅƲο¼Êé¡£Callen±¾È˾ÍÊÇ¡°ºÄÉ¢-ÕÇÂ䶨Àí¡±µÄ·¢ÏÖÕß¡£»¯Ñ§ÏµÊ¦Éú¿´ºó£¬ÓÖ±»ÌáÉýÒ»²½µÄ¸Ð¾õ¡£µ±È»ÊÇ¡°Ò»²½¡±£¬²»ÊÇ¡°Á½²½¡±¡£¡¿

£¨3£©µç×ÓµÄÃܶȷºº¯ÀíÂÛ£º
[4] Parr R G, Yang W. Density-Functional Theory of Atoms and Molecules. New York: Oxford University Press, 1989.
¡¾¿´Íê´ËÊ飬Çë±È½ÏÒ»ÏÂÄúÐÄÄ¿ÖеÄÀíÂÛÓëParrÐÄÄ¿ÖеÄÀíÂÛÓÐʲô²»Í¬£¿ÎªÊ²Ã´£¿½ø¶øÏëÏëÎÒÃÇ×·ÇóµÄ¿ÆѧӦ¸ÃÊÇÔõôÑùµÄ£¿¡¿

£¨4£©Í³¼ÆÁ¦Ñ§£º
[5] ÌÆÓÐì÷£¬¡¶Í³¼ÆÁ¦Ñ§£º¼°ÆäÔÚÎïÀí»¯Ñ§ÖеÄÓ¦Óá·£¬¿Æѧ³ö°æÉ磬±±¾©£¬1964Äê¡£
[6] Hill, T. L., Introduction to Statistical Thermodynamics, Addison-Wesley Pub Co., 1960.
[7] McQuarrie A D. Statistical Mechanics. New York: Harper & Row, 1976.
[8] Chandler D. Introduction to Modern Statistical Mechanics. New York: Oxford University Press, 1987.
[9] Zwanzig, R., Nonequilibrium Statistical Mechanics, Oxford University Press, 2001.
[10] Wilde R E, Singh S. Statistical Mechanics: Fundamentals and Modern Applications. New York: John Wiley & Sons, 1998.
[11] Widom B. Statistical Mechanics: A Concise Introduction for Chemists. New York: Cambridge University Press, 2002.
[12] Tuckerman M E. Statistical Mechanics: Theory and Molecular Simulation. New York: Oxford University Press, 2010.
[13] Hynes, J. T., Deutch, J. M., Nonequilibrium Problems: Projection Operator Techniques, in Physical Chemistry, an Advanced Treatise, Vol. 11B, ( ed. by D. Henderson ), Academic Press, New York, 1975, Ch.11.
[14] ³ÂÃô²®£¬¡¶Í³¼ÆÁ¦Ñ§£ºÀíÂÛ»¯Ñ§ÓÃÊé¡·£¬±±¾©£º¿Æѧ³ö°æÉ磬2012Äê¡£

¡¾»¯Ñ§ÁìÓòµÄͳ¼ÆÁ¦Ñ§·½Ã棬ÖÐÎÄÊéÖÁ½ñ»¹Ê×ÍÆÌÆÓÐì÷ÏÈÉúµÄÊé¡£µ±Äê´ËÊé¿ÉÓëͬʱ´úT. L. Hills[6]ºÍG. S. Rushbrooke (1949Äê)µÄÊéæÇÃÀ¡£80-90Äê´ú¹úÍâ¹ã·º²ÉÓÃMcQuarrieµÄÊé[7]£¬ÆäÖпªÊ¼½éÉÜ·Çƽºâͳ¼ÆÁ¦Ñ§¡£ºóÀ´£¬»¯Ñ§ÏµÑо¿ÉúµÄͳ¼ÆÁ¦Ñ§ÊéÒªÍÆD. Chandler[8]ºÍR. E. Wilde[10]¡£Ãû¼ÒWidowµÄÊéËäͨË×£¬µ«¶ÁºóÈÔ¶àÓÐÆô·¢[11]¡£Ãû¼ÒZwanzigµÄÊéºÜÄѶÁ£¬Ô­ÒòÊÇËûÆ«²»³ÐÈÏLiouvilleËã·ûµÄ¶òÃ×ÐÔ£¬¹ÊÒâÁí±Ùõ辶[9]¡£ÒòËûÊÇ»¯Ñ§½çͳ¼ÆÁ¦Ñ§ÖеĿªÍØÕߣ¬ËûµÄÊ黹²»Äܲ»¶Á£¬Ö»ÊÇ¿àÁ˶ÁÕß¡£µ¹ÊÇÊýѧ¼Ò³öÉíµÄTuckermanµÄͳ¼ÆÁ¦Ñ§Í»³öÓë·Ö×ÓÄ£ÄâµÄÁªÏµ£¬ÆľßÌØÉ«[12]¡£Ñ§¹ýÌÆÓÐì÷ÏÈÉúµÄÊéÖ®ºó£¬¿ÉÒÔ¶Á³ÂÃô²®µÄ¡¶Í³¼ÆÁ¦Ñ§£ºÀíÂÛ»¯Ñ§ÓÃÊé¡·[14]¡£´Ó´ËÊé¿É¿´µ½ÔÚÌÆÊé50ÄêÖ®ºó£¬Í³¼ÆÁ¦Ñ§ÓÖÉÏÁËÒ»¸ǫ̈½×£ºÍ¨Æª³ö·¢µãÊÇÐÅÏ¢Âۺͱä·ÖÔ­ÀíÁ½Ìõ£¬Í»³öÁËÀíÂ۵Ĺ«Àí»¯½á¹¹£¬¾¡¿ÉÄÜÍ»³öͳ¼ÆÁ¦Ñ§¾­µäÐÎʽÓëÁ¿×ÓÐÎʽµÄͳһ£¨¼û¸½Í¼£©¡£
Æäʵ£¬ÒòΪֻҪ»¯Ñ§¼Ò¹Ø×¢ºê¹ÛÏÖÏóµÄ΢¹Û½âÊÍ£¬ÄÇô¾Í±Ø¶¨ÒªÓõ½Í³¼ÆÁ¦Ñ§¡£ËùÒÔ»¯Ñ§ÎÊÌâÖУ¬´óÔ¼2/3ÐèҪͳ¼ÆÁ¦Ñ§£¬½ö½öÓÃÁ¿×Ó»¯Ñ§¾Í¿ÉÒÔ½âÊ͵ıϾ¹ÊÇÉÙÊý£¬Ô¼1/3¡£¹ýÈ¥£¬Öйú»¯Ñ§½ç¶Ôͳ¼ÆÁ¦Ñ§µÄ×¢Òâ²»¹»£¬ÄÇÊÇÒòΪÀúÊ·Ìõ¼þ£¬Ò²ÊÇÒòΪ³¤Í¾°ÏÉæÐèÒªÒ»²½Ò»²½×ß¡£Â·Ô½×߶àÁË£¬Ñ§ÕßµÄÑÛ¹âÒ²¾ÍÔ½¿í¹ãÁË¡£¡¿

£¨5£©·Ö×Ó¹âÆ×ÀíÂÛ£º
[15] Wilson E B Jr., Decius J C, Cross P C. Molecular Vibrations, the Theory of Infrared and Raman Vibrational Spectra. New York: McGraw Hill, 1955£»ÖÐÒë±¾£º¡¶·Ö×ÓÕñ¶¯£ººìÍâºÍÀ­ÂüÕñ¶¯¹âÆ×ÀíÂÛ¡·£¬¿Æѧ³ö°æÉ磬1985Äê¡£
[16] Mukamel S., Principles of Nonlinear Optical Spectroscopy, Oxford University Press, New York, 1995.
[17] ÁºÓ³ÇÕÔÎÄÔË£¬¡¶·Ö×ÓÕñ¶¯ºÍÕñ¶¯¹âÆס·£¬±±¾©´óѧ³ö°æÉ磬1990Äê¡£
¡¾¿´ÁËMukamelµÄÊ飬¾Í»áÁì½Ì¿ÆѧÀíÂÛµÄͳһÐÔ£¬²»Í³Ò»¾ÍÄÑÒԺųơ°ÀíÂÛ¡±¡£¡¿

£¨6£©ÈÜÒºÀíÂÛ£º
[18] Hansen, J. -P., McDonald, I. R., Theory of Simple Liquids, 3rd. ed., Elsevier (USA), 2006.
[19] Evans, D. J., Morriss, G. P., Statistical Mechanics of Nonequilibrium Liquids, 2nd ed. London: Academic Press, 2008.

£¨7£©NMRÀíÂÛ£º
[20] »ÆÓÀÈÊ£¬¡¶ºË´Å¹²ÕñÀíÂÛÔ­Àí¡·£¬»ª¶«Ê¦·¶´óѧ³ö°æÉ磬ÉϺ££¬1992Äê¡£
¡¾ºË´Å¹²ÕñÀíÂÛµÄÊ飬µ±È»Ê×ÍÆR. ErnstµÄÊé¡°Principles of Nuclear Magnetic Resonance in One and Two Dimensions¡±£¨Ò²ÓÐÖÐÒë±¾£©£¬µ«ÊÇÄÇÊéÌ«ºñ¡£ÎÒÍƼö¿´»ª¶«Ê¦·¶´óѧ»ÆÓÀÈʽÌÊÚµÄÊ顶ºË´Å¹²ÕñÀíÂÛÔ­Àí¡·[20]¡£»ª¶«Ê¦·¶´óѧ´ÓÀÏÒ»±²Ö£Ò»ÉÆÏÈÉú¿ªÊ¼·Ö×Ó¹âÆ×ÊÇÈ«¹úµÄÇ¿Ïî¡£80Äê´ú»ÆÓÀÈʽÌÊÚÖ±½ÓÊÜÒµÓÚErnestѧÅÉ£¬¿´´ËÊéÈçͬ¿´ErnstµÄÊé¡£¶ÔÓÚ»¯Ñ§¼Ò£¬Ó¦¸Ã×¢Ò⣺Èô²»Ñ§¶®Öм¶Ë®Æ½µÄÁ¿×ÓÁ¦Ñ§£¬ÔòÎÞÂÛ¿´Ê²Ã´NMRÊ飬¶¼Ö»ÄÜÍ£ÁôÔÚ²Ù×÷ÒÇÆ÷µÄˮƽ¡£¡¿

£¨8£©»¯Ñ§¶¯Á¦Ñ§£º
[21] Eyring, H£¬Lin, S. H., Lin, S. M., Basic Chemical Kinetics£¬John Wiley & Sons£¬1980£¬ÖÐÒë±¾£º¡¶»ù´¡»¯Ñ§¶¯Á¦Ñ§¡·£¬Íõ×÷У¬ÅËÇ¿ÓàÒ룬±±¾©£º¿Æѧ³ö°æÉ磬1984Äê¡£
[22] ÕÔѧׯµÈ£¬¡¶»¯Ñ§·´Ó¦¶¯Á¦Ñ§Ô­Àí¡·(ÉÏ¡¢Ï²á)±±¾©£¬¸ßµÈ½ÌÓý³ö°æÉ磬1984¡£
[23] ½ð¼Ò¿¥£¬¡¶·Ö×Ó»¯Ñ§·´Ó¦¶¯Ì¬Ñ§¡·£¬ÉϺ£½»Í¨´óѧ³ö°æÉ磬1989Äê¡£
[24] ÕÔÐÂÉú£¬¡¶»¯Ñ§·´Ó¦ÀíÂÛµ¼ÂÛ¡·£¬±±¾©£º±±¾©´óѧ³ö°æÉ磬2003Äê¡£
[25] Henriksen N.E., Hansen F.Y., Theories of Molecular Reaction Dynamics, New York: Oxford University Press, 2008.

¸øÎïÀí»¯Ñ§½çʦÉúÍƼö¼¸±¾Êé
ÎÄÏ×[14]µÄÈ«ÊéÂöÂç

[ Last edited by ±ùµã½µÎ on 2017-4-14 at 09:24 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌùר¼­ÍƼö

ÎÞ»ú»¯Ñ§ רҵÊé¼®¡¾Ö±½ÓÏÂÔØ¡¿ »úеÁ¦»¯Ñ§ Á£×ÓÓîÖæÉúÃü
Îﻯ»·Éú±Ø±¸¡¾PDF¡¿ Ñо¿·½Ïò¡ª¡ªµç¾µ ҩѧ»ù´¡¿Î8475 ²ÄÁÏÌÔÌùÊÕ¼
²ÄÁϺϳÉ001ÌÔÌû ¡¾¹Ù·½¡¿ÎÞ»úÎﻯ Сº¢Ñ§Ï°½ÌÓý×ÊÔ´ Other Chem
¿ÆÑкÃÊé ÎïÀí»¯Ñ§µç×ÓÊé ²»¶®¼ÆËã Êé¼®×ÊÁÏ
×Ô¼º²ØÆðÀ´ºóÀ´¿´ ×Ô¼ºÔĶÁ material studio ¹¤¾ßÊé¼®
ÀíÂÛ»¯Ñ§¼ÆËãÈëÃŽø½× ÎïÀí»¯Ñ§Ïà¹Ø¾­ÑéÌù ¿ÎÌâ×ÊÔ´ ÎïÀí»¯Ñ§Ñ§Ï°

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍƼö: (ÎÒÒ²ÒªÔÚÕâÀïÍƹã)

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sci_dragon

ľ³æ (СÓÐÃûÆø)

Â¥Ö÷ÐÁ¿àÁË£¬Ð»Ð»£¡

·¢×ÔСľ³æAndroid¿Í»§¶Ë
39Â¥2017-08-24 03:16:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌøת ÎÒÒª¶©ÔÄÂ¥Ö÷ mbchen µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍƼö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[½Ìʦ֮¼Ò] Ë«·Ç±¾¿Æ±ÏÒµÂÛÎÄ£¬ÆøÈË +7 ºÓÎ÷Ò¹ÀÉ 2024-05-27 12/600 2024-06-01 22:12 by iwdw2012
[»ù½ðÉêÇë] »¯Ñ§B02¿ÚÇà»ù ´ú±í×÷¶¼ÊÇʲôˮƽµÄ£¿Ïò´óÀÐÇóÖú +8 arthas_007 2024-06-01 10/500 2024-06-01 22:05 by photocatalysis
[¿¼ÑÐ] ÑÐ0¶þµ¼Ê¦·Öµ½ÐÂÀ´µÄ²©Ê¿ºó¿¿Æ×Âð +7 sone9 2024-05-31 7/350 2024-06-01 19:10 by ÃÎÑàÔ°
[˶²©¼ÒÔ°] 2024²©Ê¿ÕÐÉú +4 big »ì×Ó 2024-05-26 4/200 2024-06-01 17:37 by czp97
[˶²©¼ÒÔ°] ¸÷λͬѧÄÜ·ñ·ÖÏíÒ»ÏÂʵÑéÊÒµÄѧÉúÀÍÎñ·¢·Å±ê׼ѽ£¿ +18 ma3252788 2024-05-30 18/900 2024-06-01 17:02 by ÂäÓê·ç˪
[»ù½ðÉêÇë] ¾Å²¿ÃÅ·¢ÎÄ£º²»µÃ½«×¨ÀûÊÚȨÊýÁ¿×÷ΪÈ˲ÅÆÀ¼Û¡¢ÏîÄ¿ÆÀÉó¡¢Ö°³ÆÆÀ¶¨¡¢¸ßУÆÀ¼ÛµÈµÄÌõ¼þ +16 sjtu2012 2024-05-28 19/950 2024-06-01 15:24 by ÌìÍâ·ÉÈ¥À´
[ÂÛÎÄͶ¸å] ûÊÕµ½Óʼþ 10+3 ÈÙСƲ 2024-05-31 7/350 2024-06-01 15:04 by arthas_007
[»ù½ðÉêÇë] ÊýÀíµÄÈ˲Ŵð±ç֪ͨ·¢ÁËÂð +7 yzy3327 2024-05-30 7/350 2024-06-01 09:15 by Èö¹þÀ­Î÷²¿
[˶²©¼ÒÔ°] ÌÖÑá¾Æ×ÀÎÄ»¯ +6 hahamyid 2024-05-31 6/300 2024-06-01 09:03 by lizhiweiouc
[¿¼²©] ÇóÉúÎïѧµÄ²©µ¼ÊÕÁô +4 É격³É¹¦¹¦³É²©É 2024-06-01 4/200 2024-06-01 08:01 by ÆðÃû×Ö°¥
[»ù½ðÉêÇë] ÌÖÂÛÌù£ººÃ±¾×ÓÒ»¶¨»á±»´òÕкôµÄÌÔÌ­Âð +36 ioe3937 2024-05-27 46/2300 2024-05-31 22:06 by wanghuawei
[¿¼²©] ¹ã¶«ÒÔÀí²ÄÁÏϵ̼µãÓ빦ÄܲÄÁÏ¿ÎÌâ×é ¡ª 2²©Ê¿Ãû¶î / ¿ÆÑÐÖúÀí +4 С³ÇÒ¹ºÜÃÀ 2024-05-27 11/550 2024-05-31 21:26 by С³ÇÒ¹ºÜÃÀ
[ÂÛÎÄͶ¸å] ¾À½áÑ¡ÄÄÒ»¸öÆÚ¿¯£¬µç»¯Ñ§ÁìÓò 50+8 Freya163 2024-05-28 10/500 2024-05-31 15:09 by wzykobe
[ÎÄѧ·¼²ÝÔ°] ¶Ô¶Ô×Ó°¡ +5 ÌìÈô¹Â¶À 2024-05-29 7/350 2024-05-31 09:00 by wjykycg
[ÂÛÎÄͶ¸å] Éó¸åר¼Ò±È½Ï¼á¶¨µÄÈò¹³äʵÑ飬µ«ÊµÔÚû·¨²¹³äʵÑ飬Ð޻ػ¹ÓÐÏ£ÍûÂ𣿠(EPI+1) 3+3 qweasd12345 2024-05-29 6/300 2024-05-30 08:11 by qweasd12345
[²©ºóÖ®¼Ò] 2024¹«Åɲ©ºóÉêÇë +4 326lhpqk 2024-05-27 5/250 2024-05-29 20:03 by @¹ÅÔºú
[ÂÛÎÄͶ¸å] ºËÐijõÉ󱻾ܣ¬ÀíÓÉÊÇ¡°Ñ¡ÌâµÄÒâÒå²»Ã÷È·£¬ÎÄÕÂдµÃ²»ÏñÊǿƼ¼ÂÛÎÄ¡±£¬Ôõô¸Ä 5+3 ¹¤ÌÙÀ×»¨Ó£ 2024-05-27 8/400 2024-05-29 10:09 by topedit
[»ù½ðÉêÇë] Èç¹ûÄúÊǹú×ÔÈ»ÆÀÉóר¼Ò +3 ¶¡ÏãÔ°ÕË»§ 2024-05-28 3/150 2024-05-29 06:44 by gaohui8888
[ÂÛÎÄͶ¸å] EIÆÚ¿¯Éó¸åÈËÓÊÏäÎÊÌâ 5+3 shierÂèÂè 2024-05-27 4/200 2024-05-28 14:53 by topedit
[»ù½ðÉêÇë] ¸Ð¾õ×ÔÈ»»ù½ðÏÞÖÆͨ¹ý±ÈÀý¾ÍÊÇÓе㳶£¬Ñ§Ñ§B¿Ú£¬»¯Ñ§Ñ§²¿£¬²»ÏÞÖƱÈÀý¡£ +10 wsjing 2024-05-26 14/700 2024-05-27 11:57 by kanmiaolucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û