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在“Elsevier电子期刊”中，命中：6,045条，耗时：0.1359564 秒

在所有数据库中总计命中：14,779条

1.The molecular structure of tris(dipivaloylmethanato) thulium: Gas-phase electron diffraction and quantum chemical calculations

作者：Oleg A. Pimenov ; ^{oleg.pimenov1988@mail.ru} ; Natalya V. Belova ; Valery V. Sliznev

关键词：Lanthanide dipivaloylmethanato ; Gas-phase electron diffraction ; Quantum chemical calculations ; Molecular structure ; Internal rotation ; NBO analysis ; QTAIM

刊名：Journal of Molecular Structure

出版年：2017

2.Molecular structure of gaseous isatin as studied by electron diffraction and quantum chemical calculations

作者：Alexander V. Belyakov^a ; ^{belyakov@lti-gti.ru} ; Kirill O. Nikolaenko^a ; Pavel B. Davidovich^a ; Anatolii D. Ivanov^a ; Alexander V. Garabadzhiu^a ; Anatolii N. Rykov^b ; Igor F. Shishkov^b

关键词：Indole-2 ; 3-dione ; Isatin ; Molecular structure ; Gas-phase electron diffraction ; Aromaticity ; Induced current density ; NBO ; NICS ; HOMA ; ACID ; ICSS

刊名：Journal of Molecular Structure

出版年：2017

3.Semi-experimental equilibrium structure of pyrazinamide from gas-phase electron diffraction. How much experimental is it?

作者：Denis S. Tikhonov^a ; ^b ; ^{dentix@phys.chem.msu.ru} ; Yury V. Vishnevskiy^a ; Anatolii N. Rykov^b ; Olga E. Grikina^b ; Leonid S. Khaikin^b

关键词：Pyrazinamide ; Gas electron diffraction ; Regularization ; Amount of information ; Heuristic criterion ; Quantum chemistry

刊名：Journal of Molecular Structure

出版年：2017

4.Structure and conformational behavior of N-phenylpiperidine studied by gas-phase electron diffraction and quantum chemical calculations

作者：Sergey A. Shlykov^a ; ^{shlykov@isuct.ru} ; Tran D. Phien^a ; Yan Gao^b ; Peter M. Weber^b ; ^{peter_weber@brown.edu}

关键词：Phenylpiperidine ; Gas electron diffraction ; Quantum chemical calculations ; Hyperconjugation ; Conformational analysis ; Phenylheterocyclohexanes

刊名：Journal of Molecular Structure

出版年：2017

5.Conformational properties of 1-cyano-1-silacyclohexane, C₅H₁₀SiHCN: Gas electron diffraction, low-temperature NMR and quantum chemical calculations

作者：Alexander V. Belyakov^a ; Yrii F. Sigolaev^a ; Sergey A. Shlykov^b ; Sunna Ó ; . Wallevik^c ; ¹ ; Nanna R. Jonsdottir^c ; Sigridur Jonsdottir^c ; Á ; gú ; st Kvaran^c ; Ragnar Bjornsson^c ; Ingvar Arnason^c ; ^{ingvara@hi.is}

关键词：Silacyclohexane ; Molecular structure ; Gas electron diffraction ; Dynamic NMR spectroscopy ; Quantum chemical calculations ; Conformational analysis

刊名：Journal of Molecular Structure

出版年：2017

6.Molecular structure and conformational behavior of 1-methyl-1-phenylsilacyclohexane studied by gas electron diffraction, IR spectroscopy and quantum chemical calculations

作者：Tran Dinh Phien^a ; Sergey A. Shlykov^a ; ^{shlykov@isuct.ru} ; Bagrat A. Shainyan^b ; ^{bagrat@irioch.irk.ru}

关键词：1-Methyl-1-phenyl-silacyclohexane ; Molecular structure ; Conformational analysis ; Gas-phase electron diffraction ; Quantum chemical calculations ; IR spectroscopy

刊名：Tetrahedron

出版年：2017

7.Solid- and gas-phase structures and spectroscopic and chemical properties of tris(pentafluorosulfanyl)amine, N(SF₅)₃, and bis(pentafluorosufanyl)aminyl radical, N(SF₅)₂

作者：Jon B. Nielsen^a ; Petra Zylka^b ; Marc Kronberg^c ; Xiaoqing Zeng^d ; ^{xqzeng@suda.edu.cn} ; Kerry D. Robinson^a ; Simon G. Bott^a ; Hongming Zhang^a ; Jerry L. Atwood^a ; Heinz Oberhammer^b ; ^{heinz.oberhammer@uni-tuebingen.de} ; Helge Willner^e ; ^{willner@uni-wuppertal.de} ; Joseph S. Thrasher^a ; ^f ; ^{thrash5@clemson.edu} ; ^{fluorine@bama.ua.edu}

关键词：Gas electron diffraction ; Single crystal X-ray diffraction ; Stability ; Vibrational spectroscopy ; Quantum chemical calculations

刊名：Journal of Molecular Structure

出版年：2017

8.Molecular structures and intramolecular dynamics of pentahalides

作者：A.A. Ischenko ^{aischenko@yasenevo.ru}

关键词：Pentahalides ; Fluxional molecules ; Jahn-Teller effect ; Pseudo-Jahn-Teller effect ; gas electron diffraction ; Spectroscopy ; Quantum chemistry ; Intramolecular dynamics ; Structural instability

刊名：Journal of Molecular Structure

出版年：2017

9.Molecule 1,5-C₁₀H₆(SO₂Cl)₂ as prototype of conformational properties of naphthalene sulfonyl derivatives

作者：Vjacheslav M. Petrov^a ; Nina I. Giricheva^a ; ^{n.i.giricheva@mail.ru} ; Sergey N. Ivanov^a ; Valentina N. Petrova^b ; Georgiy V. Girichev^b ; ^{girichev@isuct.ru}

关键词：1 ; 5-Naphthalenedisulfonylchloride ; Molecular structure ; Gas-phase electron diffraction ; Mass spectrometry ; Quantum chemical calculations ; Conformational properties ; Transition barriers

刊名：Journal of Molecular Structure

出版年：2017

10.Gas and crystal structures of CCl₂FSCN

作者：Yanina Berrueta Martí ; nez^a ; Lucas S. Rodrí ; guez Pirani^a ; Mauricio F. Erben^a ; Roland Boese^c ; Christian G. Reuter^b ; Yury V. Vishnevskiy^b ; Norbert W. Mitzel^b ; ; Carlos O. Della Vé ; dova^a ; ^{carlosdv@quimica.unlp.edu.ar}

关键词：Dichlorofluoromethyl thiocyanate ; Gas electron diffraction ; X-ray diffraction

刊名：Journal of Molecular Structure

出版年：2017

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