??????? Á¿×ÓÁ¦Ñ§ÊÇÎïÀíºÍ»¯Ñ§µÄµÚÒ»µÀÀí£¬Ð±¦GGÁ¿×ÓÓë·Ö×ӽṹ¹ú¼ÊÖÐÐÄÖ÷ÈÎJeffrey Reimers½ÌÊÚÔÚÄÜÁ¦Óò×ö³öÁËÁîÈËÖõÖ÷ÕŹ¤×÷£¬ÔÚ×îгö°æµÄÓ¢¹ú»Ê¼Ò»¯Ñ§»áµÄ³ÛÃû¹ú¼ÊÆÚ¿¯¡¶Physical Chemistry Chemical Physics¡·(PCCP)ͳһÆÚÉÏ°ä·¢ÁË4ƪÎÄÕ£¬ÆäÖÐһƪ±»ÍƼöΪ·âÃæÎÄÕ³Áµã½éÉÜ¡£Jeffrey Reimers½ÌÊÚ·¢Õ¹ÁËÒ»ÖÔìÕÊʵÄÀíÂÛ²½Öè²¢½«ÆäÀûÓÃÓÚ»¯Ñ§¹ý³Ì°ø±ß£¬»ñµÃÁ˸´ÔÓÎÊÌâµÄµ¥Ò»´ð°¸£¬Æ©È磺ΪºÎ±½»·µÄ̼̼¼üÊǸ߶Գơ¢µÈ¼ä¾àµÄ·¼ÏãÐÔ£¬¶ø°±ÆøÊǵͶԳơ¢·ÇƽÃæµÄ½ð×ÖËþ¹¹ÐÍ £¿ËûÀûÓÃÈý¸ö²ÎÊýºÍÆäÖÐÁ½¸öµÄ±ÈÖµ¼´¿ÉÈ·¶¨ÕâÖÖ¶Ô³ÆÐÔ¡£ËûµÄÀíÂÛ»¹Äܹ»Ú¹Êͺܶàδ֪µÄÎÊÌ⣬ÈçΪºÎNH3ÊÇsp3ÔÓ»¯¶øPH3ÊÇ°ËÃæÌå¹¹ÐÍ £¿ÔÚÁ¿×ÓÍÆËã»úÕâÒ»¹ú¼ÊÈȵã×êÑÐÁìÓò°ø±ß£¬Jeffrey Reimers½ÌÊÚ»¹Ìá³öÁËÀûÓû¯Ñ§¼¿Á©Ñ°ÕÒÁ¿×Ó±ÈÌصĹ滮¡£ÕâËÄƪÎÄÕºÍ2011ÄêµÄÁíһƪPCCPϵÁÐÎÄÕÂΪÎÒÃÇÉî¿ÌµØÀí½âÎïÀí»¯Ñ§ºÍÉè¼ÆÐÂ×ÊÁϵ춨ÁËÀíÂÛ»ù´¡¡£
??????? б¦GGÁ¿×ÓÓë·Ö×ӽṹ¹ú¼ÊÖÐÐÄ£¨http://icqms.shu.edu.cn/£©2014ÄêÓÉÀíѧԺJeffrey Reimers½ÌÊÚºÍÈÎΰ½ÌÊÚÖ÷³Ö³ÉÁ¢£¬Æù½ñΪֹ¹ú¼ÊÖÐÐÄÒѾÔÚÎïÀí¡¢»¯Ñ§ºÍ×ÊÁϵĶ¥¼¶ÆÚ¿¯PRL £¬ JACS£¬ Nano Letters£¬Adv. Funct. Mater.£¬PRB£¬APL£¬CPL£¬JPCB£¬CarbonµÈ°ä·¢¶þÊ®¶àƪÂÛÎÄ¡£Áí±í£¬Jeffrey Reimers½ÌÊÚµÄб¦GGÊ×ƪÃÀ¹ú¿ÆѧԺԺ±¨PNASÂÛÎÄÒ²¼´½«°ä·¢¡£
Á´½Ó£º
1)?¡°A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity¡± PCCP 17 (2015) P24598,?http://dx.doi.org/10.1039/c5cp02236c???
2)? ¡°Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model¡± PCCP 17 (2015) P24618,?http://dx.doi.org/10.1039/c5cp02237a
3)?¡°Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born¨COppenheimer breakdown corrections¡±? PCCP 17 (2015) P24641,?http://dx.doi.org/10.1039/C5CP02238J
4)? ¡°Electron¨Cvibration entanglement in the Born¨COppenheimer description of chemical reactions and spectroscopy¡± PCCP 17 (2015) P24666,http://dx.doi.org/10.1039/c5cp02239h??
5)? ¡°Quantum entanglement between electronic and vibrational degrees of freedom in molecules" J. Chem. Phys. 135, (2011) 244110.?http://dx.doi.org/10.1063/1.3671386
| 
