{"topic":{"id":15012,"title":"Revan.LOG","slug":"topic","categoryId":4,"createdAt":"2025-08-04 09:11:08.519951","bumpedAt":"2025-08-31 14:53:19.684791","views":708,"postsCount":44,"highestPostNumber":45,"likeCount":167,"closed":false,"pinned":false,"pinnedGlobally":false,"pinnedAt":null,"pinnedUntil":null,"isBanner":false,"excerpt":"rt，本楼将专门投喂驻波的科研（？）进展（并非科研","deletedAt":null,"isAnonymous":false,"category":{"id":4,"name":"谈笑风生","slug":"general","color":"25AAE2"},"author":{"id":1590,"username":"Revan","name":" ","avatarUrl":null},"tags":[]},"posts":[{"id":63322,"postNumber":1,"raw":"rt，本楼将专门投喂驻波的科研（？）进展（*并非科研*","cooked":"

rt，本楼将专门投喂驻波的科研（？）进展（并非科研

\n","createdAt":"2025-08-04 09:11:08.63109","updatedAt":"2025-08-04 09:13:27.415489","replyToPostNumber":null,"replyCount":0,"likeCount":10,"wordCount":22,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":10,"users":[{"id":2902,"username":"1313","name":"ᐕ)ﾉ"},{"id":5151,"username":"Soyo34325","name":"Soyo34325"},{"id":5351,"username":"Xrystal-line","name":"羽流弦ノ迹"},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7245,"username":"anon42647320","name":null},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7703,"username":"anon33550336","name":null},{"id":7708,"username":"Jiang_a_String","name":"江永不方（江一串😁）"},{"id":7723,"username":"Narrenshiff","name":null}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63323,"postNumber":2,"raw":"前排，发论文了致谢记得写塬友","cooked":"

前排，发论文了致谢记得写塬友

\n","createdAt":"2025-08-04 09:20:17.355151","updatedAt":"2025-08-04 09:20:17.355151","replyToPostNumber":null,"replyCount":1,"likeCount":6,"wordCount":14,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"rolling_on_the_floor_laughing_kissing_heart","count":1,"users":[{"id":1590,"username":"Revan","name":" "}],"hasReacted":false},{"reaction":"plus1","count":1,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"}],"hasReacted":false},{"reaction":"👍️","count":1,"users":[{"id":7014,"username":"兴庆宫第一迷路幽灵","name":"post deleted by author"}],"hasReacted":false},{"reaction":"❤️","count":6,"users":[{"id":1590,"username":"Revan","name":" "},{"id":5151,"username":"Soyo34325","name":"Soyo34325"},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7014,"username":"兴庆宫第一迷路幽灵","name":"post deleted by author"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7703,"username":"anon33550336","name":null}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":2877,"username":"Zerick","name":null,"avatarUrl":"/uploads/image/a7/a3/a7a3f86ac04b30a3177766813966fa48ce68b0e1cc009a8d274e34ab13a43ce9.avif","admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63324,"postNumber":3,"raw":"前排 cy","cooked":"

前排 cy

\n","createdAt":"2025-08-04 10:26:37.703101","updatedAt":"2025-08-04 10:26:37.703101","replyToPostNumber":null,"replyCount":0,"likeCount":3,"wordCount":3,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":3,"users":[{"id":1590,"username":"Revan","name":" "},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7703,"username":"anon33550336","name":null}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<","avatarUrl":"/uploads/image/c7/ea/c7eae3a3f314dbf53f43c93673d771a3c5bd80a8a7151db2a24c2379c567397a.avif","admin":false,"moderator":false,"signatureRaw":"[color=#bbcff9]长恨此身非我有何时忘却营营[/color]","signatureCooked":"

长恨此身非我有何时忘却营营

\n"}},{"id":63332,"postNumber":4,"raw":"致谢就算了，我只要个二作 :laughing:","cooked":"

致谢就算了，我只要个二作 😆

\n","createdAt":"2025-08-04 11:51:18.657012","updatedAt":"2025-08-04 11:51:18.657012","replyToPostNumber":2,"replyCount":2,"likeCount":4,"wordCount":13,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":4,"users":[{"id":1590,"username":"Revan","name":" "},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7703,"username":"anon33550336","name":null}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":7711,"username":"Coffee","name":"无名","avatarUrl":"/uploads/image/63/d2/63d2d70397192f5baa9c5e42eec665fa388e29f106791521d50374dc153f0c10.avif","admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63333,"postNumber":5,"raw":"得寸进尺这一块🤣","cooked":"

得寸进尺这一块🤣

\n","createdAt":"2025-08-04 11:52:26.619319","updatedAt":"2025-08-04 11:52:26.619319","replyToPostNumber":4,"replyCount":0,"likeCount":3,"wordCount":8,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":3,"users":[{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7703,"username":"anon33550336","name":null},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63335,"postNumber":6,"raw":"cy😋","cooked":"

cy😋

\n","createdAt":"2025-08-04 12:32:38.393785","updatedAt":"2025-08-04 12:32:38.393785","replyToPostNumber":null,"replyCount":0,"likeCount":4,"wordCount":1,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"😋️","count":1,"users":[{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"}],"hasReacted":false},{"reaction":"❤️","count":4,"users":[{"id":1590,"username":"Revan","name":" "},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7703,"username":"anon33550336","name":null},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维","avatarUrl":"/uploads/image/f7/3a/f73ac401b7f6561a911c2f5c6b9769edb7dd526216d879bde8fa2f52989f0e22.avif","admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63354,"postNumber":7,"raw":"为什么不要通讯？（不是）\n\n顺便欢迎源友！","cooked":"

为什么不要通讯？（不是）

顺便欢迎源友！

\n","createdAt":"2025-08-04 17:24:42.305615","updatedAt":"2025-08-04 17:24:42.305615","replyToPostNumber":4,"replyCount":0,"likeCount":5,"wordCount":18,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":5,"users":[{"id":1590,"username":"Revan","name":" "},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7703,"username":"anon33550336","name":null},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":5905,"username":"PipaQinse233","name":"PipaQinse233","avatarUrl":"/uploads/image/f7/1b/f71bbda87a32de08df517fe7ee4a14e3f63bfd1b2105d3ddb8ba1f4c2eaa1c29.avif","admin":false,"moderator":false,"signatureRaw":"[right]——發自我的手機[/right]","signatureCooked":"

——發自我的手機

"}},{"id":63355,"postNumber":8,"raw":"今天（严格来说是昨天）又算出了 2 个\n看了一下学长算的成功结果，试图复现，但多次尝试均无果，最后发现是 Mult 设错了，遂得到启发，意识到之前未能算出的反应可能有新的计算思路（\n干完手上的这一票就睡觉💤\n***\n台式机就是好😋算力这一块比我自己的笔电不知强到哪里去了（\n***\n明天考虑一下 CH 的取向对扫描的影响（虽然我觉得应该没什么影响（？）","cooked":"

今天（严格来说是昨天）又算出了 2 个
\n看了一下学长算的成功结果，试图复现，但多次尝试均无果，最后发现是 Mult 设错了，遂得到启发，意识到之前未能算出的反应可能有新的计算思路（
\n干完手上的这一票就睡觉💤

台式机就是好😋算力这一块比我自己的笔电不知强到哪里去了（

明天考虑一下 CH 的取向对扫描的影响（虽然我觉得应该没什么影响（？）

\n","createdAt":"2025-08-04 17:33:13.156224","updatedAt":"2025-08-05 15:26:58.799142","replyToPostNumber":null,"replyCount":1,"likeCount":7,"wordCount":154,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":7,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7014,"username":"兴庆宫第一迷路幽灵","name":"post deleted by author"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7550,"username":"sumire","name":"アイラちゃん"},{"id":7703,"username":"anon33550336","name":null},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":3,"publicVersion":3,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63358,"postNumber":9,"raw":"某些结构用扫描似乎是得不到的……这才是最头疼的……（*我只会扫描*\n以及有必要统计一下自己的进度💦","cooked":"

某些结构用扫描似乎是得不到的……这才是最头疼的……（我只会扫描
\n以及有必要统计一下自己的进度💦

\n","createdAt":"2025-08-04 17:47:32.191827","updatedAt":"2025-08-04 17:51:40.341922","replyToPostNumber":null,"replyCount":0,"likeCount":6,"wordCount":44,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":6,"users":[{"id":2872,"username":"芙蓉湖第一树莓果","name":"RaspberryPi"},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7703,"username":"anon33550336","name":null},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63375,"postNumber":10,"raw":"起床！\n精神状态：\n![IMG_6467|690x372](/uploads/image/b2/9c/b29c4b31dbe323d06abc3660f906354b9362ba283c8716bd894be83d7957fd90.avif)\nupdate:今天算的第一发就失败了:tieba_hehe:快啊很快啊","cooked":"

起床！
\n精神状态：
\n $\"IMG_6467\"$
\nupdate:今天算的第一发就失败了 $\":tieba_hehe:\"$ 快啊很快啊

\n","createdAt":"2025-08-05 02:12:54.674129","updatedAt":"2025-08-05 02:38:39.406715","replyToPostNumber":null,"replyCount":0,"likeCount":5,"wordCount":27,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":5,"users":[{"id":2872,"username":"芙蓉湖第一树莓果","name":"RaspberryPi"},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":3,"publicVersion":3,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63427,"postNumber":11,"raw":"下午又陆陆续续算出几个\n争取这周内把能算的都算完\n***\n还有值得一提的是发现扫描曲线上的非极大值点也能拿去找过渡态，也许是我的步长设置的太大了？","cooked":"

下午又陆陆续续算出几个
\n争取这周内把能算的都算完

还有值得一提的是发现扫描曲线上的非极大值点也能拿去找过渡态，也许是我的步长设置的太大了？

\n","createdAt":"2025-08-05 10:50:08.268332","updatedAt":"2025-08-05 10:53:56.470802","replyToPostNumber":null,"replyCount":0,"likeCount":4,"wordCount":68,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":4,"users":[{"id":2877,"username":"Zerick","name":null},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63428,"postNumber":12,"raw":"[quote=\" , post:8, topic:15012, username:Revan\"]\n明天考虑一下 CH 的取向对扫描的影响（虽然我觉得应该没什么影响（？）\n[/quote]\n取向应该没什么影响，但是 CH 在扫描过程中还是会发生神秘的加成💦明明 CH2 的性质就很好\n有待解决","cooked":"

\n\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\tQuote:\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t

\n
明天考虑一下 CH 的取向对扫描的影响（虽然我觉得应该没什么影响（？）
\n

\n\t\t\t\t\t\t

取向应该没什么影响，但是 CH 在扫描过程中还是会发生神秘的加成💦明明 CH2 的性质就很好
\n有待解决

\n","createdAt":"2025-08-05 10:56:38.241923","updatedAt":"2025-08-05 10:56:47.338043","replyToPostNumber":null,"replyCount":0,"likeCount":4,"wordCount":79,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":4,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63440,"postNumber":13,"raw":"*《关于发现一个最初是因为动漫而偶然关注的北大博主居然也是做计算化学的这件事》*","cooked":"

《关于发现一个最初是因为动漫而偶然关注的北大博主居然也是做计算化学的这件事》

\n","createdAt":"2025-08-05 15:12:07.695127","updatedAt":"2025-08-05 15:12:35.396342","replyToPostNumber":null,"replyCount":1,"likeCount":4,"wordCount":38,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":4,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63442,"postNumber":14,"raw":"[quote=\" , post:8, topic:15012, username:Revan\"]\n看了一下学长算的成功结果，试图复现，但多次尝试均无果，最后发现是 Mult 设错了，遂得到启发，意识到之前未能算出的反应可能有新的计算思路（\n[/quote]\nupdate：猜想正确，很多反应都算出来了","cooked":"

\n\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\tQuote:\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t

\n
看了一下学长算的成功结果，试图复现，但多次尝试均无果，最后发现是 Mult 设错了，遂得到启发，意识到之前未能算出的反应可能有新的计算思路（
\n

\n\t\t\t\t\t\t

update：猜想正确，很多反应都算出来了

\n","createdAt":"2025-08-05 15:23:24.306963","updatedAt":"2025-08-05 15:27:48.496954","replyToPostNumber":8,"replyCount":0,"likeCount":7,"wordCount":86,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"👍️","count":1,"users":[{"id":30,"username":"一只玉米人","name":"玉米🌽"}],"hasReacted":false},{"reaction":"🥳️","count":1,"users":[{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"}],"hasReacted":false},{"reaction":"❤️","count":7,"users":[{"id":30,"username":"一只玉米人","name":"玉米🌽"},{"id":2872,"username":"芙蓉湖第一树莓果","name":"RaspberryPi"},{"id":2877,"username":"Zerick","name":null},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63443,"postNumber":15,"raw":"很神奇，感觉化学人二次元浓度应该可以跟 CS 人掰手腕 :rofl: （from 高中班上的身边统计学）","cooked":"

很神奇，感觉化学人二次元浓度应该可以跟 CS 人掰手腕 🤣 （from 高中班上的身边统计学）

\n","createdAt":"2025-08-05 16:06:29.388653","updatedAt":"2025-08-05 16:06:29.388653","replyToPostNumber":13,"replyCount":0,"likeCount":6,"wordCount":37,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"🤣️","count":1,"users":[{"id":7014,"username":"兴庆宫第一迷路幽灵","name":"post deleted by author"}],"hasReacted":false},{"reaction":"❤️","count":6,"users":[{"id":1590,"username":"Revan","name":" "},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7014,"username":"兴庆宫第一迷路幽灵","name":"post deleted by author"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7708,"username":"Jiang_a_String","name":"江永不方（江一串😁）"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":30,"username":"一只玉米人","name":"玉米🌽","avatarUrl":"/uploads/blob/14/96/14961aeaa46ccbb75a61eec0c27b26e74fb5d1c00ccdcbbe898ca9ea37087dd6.svg","admin":false,"moderator":true,"signatureRaw":"*年月擦身过，暂且问，会更好吗？*","signatureCooked":"

年月擦身过，暂且问，会更好吗？

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起床 $\":tieba_hehe:\"$
\n今天的第一个任务是考虑 CH2CH 不同的化学环境的 H 对反应的影响（

\n","createdAt":"2025-08-05 16:44:39.424927","updatedAt":"2025-08-06 03:27:13.382671","replyToPostNumber":null,"replyCount":1,"likeCount":2,"wordCount":31,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":2,"users":[{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":2,"publicVersion":2,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63470,"postNumber":17,"raw":"[quote=\" , post:16, topic:15012, username:Revan\"]\n今天的第一个任务是考虑 CH2CH 不同的化学环境的 H 对反应的影响（\n[/quote]\nupdate：驻波是对的！换了一个 H 就算出来了！:tieba_huanhu:","cooked":"

\n\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\tQuote:\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t

\n
今天的第一个任务是考虑 CH2CH 不同的化学环境的 H 对反应的影响（
\n

\n\t\t\t\t\t\t

update：驻波是对的！换了一个 H 就算出来了！ $\":tieba_huanhu:\"$

\n","createdAt":"2025-08-06 04:12:21.553604","updatedAt":"2025-08-06 04:12:21.553604","replyToPostNumber":16,"replyCount":0,"likeCount":7,"wordCount":52,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"👍️","count":1,"users":[{"id":30,"username":"一只玉米人","name":"玉米🌽"}],"hasReacted":false},{"reaction":"🤩️","count":1,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"}],"hasReacted":false},{"reaction":"🥳️","count":1,"users":[{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"}],"hasReacted":false},{"reaction":"❤️","count":7,"users":[{"id":30,"username":"一只玉米人","name":"玉米🌽"},{"id":2877,"username":"Zerick","name":null},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7550,"username":"sumire","name":"アイラちゃん"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63513,"postNumber":18,"raw":"今天剩下的时间都在算一个反应现在有理由认为它不会发生（\n不过也许是构象的问题🤔我再试试","cooked":"

今天剩下的时间都在算一个反应现在有理由认为它不会发生（
\n不过也许是构象的问题🤔我再试试

\n","createdAt":"2025-08-06 14:32:56.553243","updatedAt":"2025-08-06 14:32:56.553243","replyToPostNumber":null,"replyCount":1,"likeCount":3,"wordCount":42,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":3,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63523,"postNumber":19,"raw":"我要红温喽:tieba_hehe:\n*我没要求你一次出结果，可是没有极值点是怎么回事 :tieba_hehe:再这样我就要两段扫描两次，四段扫描四次，八段扫描八次，这就要变成八岐大蛇了，作为交兵，我可能要打败你，真的*","cooked":"

我要红温喽 $\":tieba_hehe:\"$
\n我没要求你一次出结果，可是没有极值点是怎么回事 $\":tieba_hehe:\"$ 再这样我就要两段扫描两次，四段扫描四次，八段扫描八次，这就要变成八岐大蛇了，作为交兵，我可能要打败你，真的

\n","createdAt":"2025-08-06 16:23:12.148246","updatedAt":"2025-08-06 16:26:30.933288","replyToPostNumber":18,"replyCount":1,"likeCount":8,"wordCount":85,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"🤣️","count":1,"users":[{"id":200,"username":"Srotseiticar","name":null}],"hasReacted":false},{"reaction":"💯️","count":1,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"}],"hasReacted":false},{"reaction":"❤️","count":8,"users":[{"id":200,"username":"Srotseiticar","name":null},{"id":2872,"username":"芙蓉湖第一树莓果","name":"RaspberryPi"},{"id":2877,"username":"Zerick","name":null},{"id":2902,"username":"1313","name":"ᐕ)ﾉ"},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7708,"username":"Jiang_a_String","name":"江永不方（江一串😁）"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63530,"postNumber":20,"raw":"md 睡的和昏迷一样:tieba_hehe:\n***\n现在的问题是、有一个在几何上很好的结构（就是说，很像过渡态），但能量上却显示它不是过渡态，有 2 种可能、可能这个反应不会发生，但也可能只是我没找到正确的结构🤔\n***\n老子的结膜炎又发作了烦躁:tieba_hehe:","cooked":"

md 睡的和昏迷一样 $\":tieba_hehe:\"$

现在的问题是、有一个在几何上很好的结构（就是说，很像过渡态），但能量上却显示它不是过渡态，有 2 种可能、可能这个反应不会发生，但也可能只是我没找到正确的结构🤔

老子的结膜炎又发作了烦躁 $\":tieba_hehe:\"$

\n","createdAt":"2025-08-07 03:22:25.846369","updatedAt":"2025-08-07 03:29:36.52724","replyToPostNumber":null,"replyCount":1,"likeCount":6,"wordCount":101,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":6,"users":[{"id":2877,"username":"Zerick","name":null},{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7245,"username":"anon42647320","name":null},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":2,"publicVersion":2,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63537,"postNumber":21,"raw":"一个意外的 breakthrough🤔面白い\n让我再看看是怎么回事","cooked":"

一个意外的 breakthrough🤔面白い
\n让我再看看是怎么回事

\n","createdAt":"2025-08-07 06:37:30.26985","updatedAt":"2025-08-07 06:37:30.26985","replyToPostNumber":null,"replyCount":0,"likeCount":2,"wordCount":19,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":2,"users":[{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7711,"username":"Coffee","name":"无名"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63555,"postNumber":22,"raw":"[quote=\" , post:20, topic:15012, username:Revan\"]\n现在的问题是、有一个在几何上很好的结构（就是说，很像过渡态），但能量上却显示它不是过渡态，有 2 种可能、可能这个反应不会发生，但也可能只是我没找到正确的结构:thinking:\n[/quote]\nupdate:在把 Mult 从 2 改成 6 后找到了正确的 ts（过渡态）\n这就是之前说的\n\n[quote=\" , post:21, topic:15012, username:Revan\"]\n一个意外的 breakthrough\n[/quote]\n本来是想设成 4 的，手滑了设成了 6（\n看来之前设置的还是太保守了","cooked":"

\n\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\tQuote:\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t

\n
现在的问题是、有一个在几何上很好的结构（就是说，很像过渡态），但能量上却显示它不是过渡态，有 2 种可能、可能这个反应不会发生，但也可能只是我没找到正确的结构🤔
\n

\n\t\t\t\t\t\t

update:在把 Mult 从 2 改成 6 后找到了正确的 ts（过渡态）
\n这就是之前说的

\n\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\tQuote:\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t

\n\t\t\t\t\t\t\t

\n
一个意外的 breakthrough
\n

\n\t\t\t\t\t\t

本来是想设成 4 的，手滑了设成了 6（
\n看来之前设置的还是太保守了

\n","createdAt":"2025-08-07 10:07:34.587881","updatedAt":"2025-08-07 10:14:44.838997","replyToPostNumber":20,"replyCount":0,"likeCount":2,"wordCount":152,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":2,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"}],"hasReacted":false}],"wiki":false,"version":2,"publicVersion":2,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63569,"postNumber":24,"raw":"套公式就是快🤣","cooked":"

套公式就是快🤣

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什么公式

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长恨此身非我有何时忘却营营

\n"}},{"id":63571,"postNumber":26,"raw":"这个:tieba_hehe:\nhttps://b23.tv/rb8kDco","cooked":"

这个 $\":tieba_hehe:\"$

https://b23.tv/rb8kDco

","createdAt":"2025-08-07 11:32:31.304977","updatedAt":"2025-08-07 11:32:31.304977","replyToPostNumber":25,"replyCount":1,"likeCount":3,"wordCount":4,"liked":false,"bookmarked":false,"polls":[],"reactions":[{"reaction":"❤️","count":3,"users":[{"id":5905,"username":"PipaQinse233","name":"PipaQinse233"},{"id":7364,"username":"青年杰出贡献上交大門人","name":"紫金港第一皮革<・)))><<"},{"id":7514,"username":"萨卡兹雇佣兵","name":"神秘小维"}],"hasReacted":false}],"wiki":false,"version":1,"publicVersion":1,"deletedAt":null,"isAnonymous":false,"user":{"id":1590,"username":"Revan","name":" ","avatarUrl":null,"admin":false,"moderator":false,"signatureRaw":null,"signatureCooked":null}},{"id":63572,"postNumber":27,"raw":"revan 老师简直是土源的活百科全书（）","cooked":"

revan 老师简直是土源的活百科全书（）

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长恨此身非我有何时忘却营营

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并非百科👉👈🤣
\n但驻波的网上冲浪强度确实比较高（

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红温了 $\":tieba_hehe:\"$
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好奇用的是 Python 还是 C/C++，之前学长发给我一个 Python 计算电子的~~而且还没太看懂~~，要是 C/C++ 的话更不敢碰计算化学了。

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都不是😋我们用的是 Gaussian/Gaussview

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