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浏览/检索结果: 共10条，第1-10条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Computational challenges in Astrochemistry 期刊论文 WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2018, 卷号: 8 作者:  Biczysko, Malgorzata[1];  Bloino, Julien[2];  Puzzarini, Cristina[3] 收藏  |  浏览/下载：4/0  |  提交时间：2019/04/24 Simulation of realistic electronic spectra band-shapes: The role of vibrational effects 期刊论文 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255 作者:  Biczysko, Malgorzata[1];  Bloino, Julien[2] 收藏  |  浏览/下载：4/0  |  提交时间：2019/04/22 Role of anharmonic effects in analysis of astrochemical observations: IR signatures and thermodynamics 期刊论文 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254 作者:  Bloino, Julien[1];  Biczysko, Malgorzata[2];  Puzzarini, Cristina[3] 收藏  |  浏览/下载：3/0  |  提交时间：2019/04/24 Computational challenges in astrochemistry 期刊论文 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254 作者:  Biczysko, Malgorzata[1];  Bloino, Julien[2];  Puzzarini, Cristina[3] 收藏  |  浏览/下载：2/0  |  提交时间：2019/04/24 Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 页码: 3305-3317 作者:  Charmet, Andrea Pietropolli[1];  Stoppa, Paolo[2];  Giorgianni, Santi[3];  Bloino, Julien[4];  Tasinato, Nicola[5] 收藏  |  浏览/下载：4/0  |  提交时间：2019/04/24 Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 页码: 8479-8490 作者:  Fornaro, Teresa[1];  Biczysko, Malgorzata[2];  Bloino, Julien[3];  Barone, Vincenzo[4] 收藏  |  浏览/下载：8/0  |  提交时间：2019/04/26 Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2016, 卷号: 116, 页码: 1543-1574 作者:  Bloino, Julien[1];  Baiardi, Alberto[2];  Biczysko, Malgorzata[3] 收藏  |  浏览/下载：5/0  |  提交时间：2019/04/26 anharmonic vibrational spectroscopy  computational spectroscopy  large amplitude motion  medium-to-large molecules  vibronic spectroscopy   Vibrational spectra of medium-to-large systems at the anharmonic level 期刊论文 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 卷号: 251 作者:  Bloino, Julien[1];  Biczysko, Malgorzata[2] 收藏  |  浏览/下载：6/0  |  提交时间：2019/04/26 Simulation of realistic electronic spectra bandshapes of chromophoric systems relevant for solar light harvesting 期刊论文 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 卷号: 251 作者:  Biczysko, Malgorzata[1];  Bloino, Julien[2] 收藏  |  浏览/下载：7/0  |  提交时间：2019/04/26 Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 页码: 11862-11874 作者:  Bloino, Julien[1];  Biczysko, Malgorzata[2];  Barone, Vincenzo[3] 收藏  |  浏览/下载：4/0  |  提交时间：2019/04/30