Works matching IS 14394235 AND DT 2019 AND VI 20 AND IP 19

Results: 24

Periodic DFT Study of the Effects of Co‐Crystallization on a N‐Salicylideneaniline Molecular Switch.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2402, doi. 10.1002/cphc.201900885

By:

Quertinmont, Jean;
Leyssens, Tom;
Wouters, Johan;
Champagne, Benoît

Publication type:

Article

Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2461, doi. 10.1002/cphc.201900839

By:

Clark, Timothy;
Heske, Julian;
Kühne, Thomas D.

Publication type:

Article

Threshold Photoelectron Spectroscopy of IO and HOI.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2413, doi. 10.1002/cphc.201900813

By:

Schleier, Domenik;
Reusch, Engelbert;
Lummel, Lisa;
Hemberger, Patrick;
Fischer, Ingo

Publication type:

Article

Cover Feature: Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations (ChemPhysChem 19/2019).

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2401, doi. 10.1002/cphc.201900889

By:

Bringas, Mauro;
Lombardi, Leandro E.;
Luque, F. Javier;
Estrin, Darío A.;
Capece, Luciana

Publication type:

Article

Front Cover: Periodic DFT Study of the Effects of Co‐Crystallization on a N‐Salicylideneaniline Molecular Switch (ChemPhysChem 19/2019).

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2398, doi. 10.1002/cphc.201900886

By:

Quertinmont, Jean;
Leyssens, Tom;
Wouters, Johan;
Champagne, Benoît

Publication type:

Article

Cover Feature: Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis (ChemPhysChem 19/2019).

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2400, doi. 10.1002/cphc.201900888

By:

Grabowski, Sławomir J.;
Casanova, David;
Formoso, Elena;
Ugalde, Jesus M.

Publication type:

Article

Cover Feature: Integrated Molecular Logic Using a Multistate Electrochromic Platform (ChemPhysChem 19/2019).

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2399, doi. 10.1002/cphc.201900887

By:

Keisar, Hodaya;
Lahav, Michal;
Boom, Milko E.

Publication type:

Article

Integrated Molecular Logic Using a Multistate Electrochromic Platform.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2403, doi. 10.1002/cphc.201900784

By:

Keisar, Hodaya;
Lahav, Michal;
Boom, Milko E.

Publication type:

Article

Balancing Donor‐Acceptor and Dispersion Effects in Heavy Main Group Element π Interactions: Effect of Substituents on the Pnictogen⋅⋅⋅π Arene Interaction.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2539, doi. 10.1002/cphc.201900747

By:

Krasowska, Małgorzata;
Fritzsche, Ana‐Maria;
Mehring, Michael;
Auer, Alexander A.

Publication type:

Article

Molecular Dynamics Simulation of Methane Hydrate Decomposition in the Presence of Alcohol Additives.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2553, doi. 10.1002/cphc.201900742

By:

Sun, Xiaoliang;
Zhou, Guanggang;
Zhu, Jianwei;
Wu, Haicheng;
Lu, Guiwu;
Bai, Dongsheng

Publication type:

Article

Synthesis, Photophysics and Redox Properties of Aza‐BODIPY Dyes with Electron‐Donating Groups.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2482, doi. 10.1002/cphc.201900689

By:

Obłoza, Magdalena;
Łapok, Łukasz;
Pędziński, Tomasz;
Stadnicka, Katarzyna M.;
Nowakowska, Maria

Publication type:

Article

On the Lewis Basicity of Phosphoramides: A Critical Examination of Their Donor Number through Comparison of Enthalpies of Adduct Formation with SbCl5 and BF3.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2566, doi. 10.1002/cphc.201900691

By:

Gal, Jean‐François;
Maria, Pierre‐Charles;
Yáñez, Manuel;
Mó, Otilia

Publication type:

Article

Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2443, doi. 10.1002/cphc.201900687

By:

Grabowski, Sławomir J.;
Casanova, David;
Formoso, Elena;
Ugalde, Jesus M.

Publication type:

Article

Photophysics and Inverted Solvatochromism of 7,7,8,8‐Tetracyanoquinodimethane (TCNQ).

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2531, doi. 10.1002/cphc.201900681

By:

Tamaya, Honami;
Torii, Yuto;
Ishikawa, Takumi;
Nakano, Hideyuki;
Iimori, Toshifumi

Publication type:

Article

Mechanism and Functionality of Pnictogen Dual Aromaticity in Pentazolate Crystals.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2525, doi. 10.1002/cphc.201900674

By:

Zhang, Lei;
Yao, Chuang;
Yu, Yi;
Wang, Xing;
Sun, Chang Q.;
Chen, Jun

Publication type:

Article

Lifetime of Parahydrogen in Aqueous Solutions and Human Blood.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2408, doi. 10.1002/cphc.201900670

By:

Schmidt, Andreas B.;
Wörner, Jakob;
Pravdivtsev, Andrey;
Knecht, Stephan;
Scherer, Harald;
Weber, Stefan;
Hennig, Jürgen;
Elverfeldt, Dominik;
Hövener, Jan‐Bernd

Publication type:

Article

Formation Mechanism, Geometric Stability and Catalytic Activity of a Single Iron Atom Supported on N‐Doped Graphene.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2506, doi. 10.1002/cphc.201900666

By:

Tang, Yanan;
Chen, Weiguang;
Wu, Bingjie;
Zhao, Gao;
Liu, Zhiyong;
Li, Yi;
Dai, Xianqi

Publication type:

Article

Supramolecular Assembly Induced Emission of Thiazole Orange with Sulfobutylether β‐cyclodextrin: A Stimuli‐Responsive Fluorescence Sensor for Tyramine.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2498, doi. 10.1002/cphc.201900656

By:

Khurana, Raman;
Barooah, Nilotpal;
Bhasikuttan, Achikanath C.;
Mohanty, Jyotirmayee

Publication type:

Article

Fundamental Properties of Transition‐Metals‐Adsorbed Graphene.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2473, doi. 10.1002/cphc.201900614

By:

Tran, Ngoc Thanh Thuy;
Nguyen, Duy Khanh;
Lin, Shih‐Yang;
Gumbs, Godfrey;
Lin, Ming‐Fa

Publication type:

Article

Structure and Density Comparison of Noble Gas Hydrates Encapsulating Xenon, Krypton and Argon.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2518, doi. 10.1002/cphc.201900591

By:

Takeya, Satoshi;
Hachikubo, Akihiro

Publication type:

Article

Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2451, doi. 10.1002/cphc.201900589

By:

Bringas, Mauro;
Lombardi, Leandro E.;
Luque, F. Javier;
Estrin, Darío A.;
Capece, Luciana

Publication type:

Article

Emerging Two‐Dimensional Nanomaterials for Cancer Therapy.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2417, doi. 10.1002/cphc.201900551

By:

Guo, Zilei;
Ouyang, Jiang;
Kim, Na Yoon;
Shi, Jinjun;
Ji, Xiaoyuan

Publication type:

Article

Molecular Electron Density Distribution and X‐Ray Diffraction Patterns of Smectic A Liquid Crystals – A Simulation Study.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2466, doi. 10.1002/cphc.201900538

By:

Haege, Christian;
Jagiella, Stefan;
Giesselmann, Frank

Publication type:

Article

Periodic DFT Study of the Effects of Co‐Crystallization on a N‐Salicylideneaniline Molecular Switch.

Published in:

ChemPhysChem, 2019, v. 20, n. 19, p. 2434, doi. 10.1002/cphc.201900463

By:

Quertinmont, Jean;
Leyssens, Tom;
Wouters, Johan;
Champagne, Benoît

Publication type:

Article

Works matching IS 14394235 AND DT 2019 AND VI 20 AND IP 19

Periodic DFT Study of the Effects of Co‐Crystallization on a N‐Salicylideneaniline Molecular Switch.

Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H<sub>2</sub>O and D<sub>2</sub>O.

Threshold Photoelectron Spectroscopy of IO and HOI.

Cover Feature: Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations (ChemPhysChem 19/2019).

Front Cover: Periodic DFT Study of the Effects of Co‐Crystallization on a N‐Salicylideneaniline Molecular Switch (ChemPhysChem 19/2019).

Cover Feature: Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis (ChemPhysChem 19/2019).

Cover Feature: Integrated Molecular Logic Using a Multistate Electrochromic Platform (ChemPhysChem 19/2019).

Integrated Molecular Logic Using a Multistate Electrochromic Platform.

Balancing Donor‐Acceptor and Dispersion Effects in Heavy Main Group Element π Interactions: Effect of Substituents on the Pnictogen⋅⋅⋅π Arene Interaction.

Molecular Dynamics Simulation of Methane Hydrate Decomposition in the Presence of Alcohol Additives.

Synthesis, Photophysics and Redox Properties of Aza‐BODIPY Dyes with Electron‐Donating Groups.

On the Lewis Basicity of Phosphoramides: A Critical Examination of Their Donor Number through Comparison of Enthalpies of Adduct Formation with SbCl<sub>5</sub> and BF<sub>3</sub>.

Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis.

Photophysics and Inverted Solvatochromism of 7,7,8,8‐Tetracyanoquinodimethane (TCNQ).

Mechanism and Functionality of Pnictogen Dual Aromaticity in Pentazolate Crystals.

Lifetime of Parahydrogen in Aqueous Solutions and Human Blood.

Formation Mechanism, Geometric Stability and Catalytic Activity of a Single Iron Atom Supported on N‐Doped Graphene.

Supramolecular Assembly Induced Emission of Thiazole Orange with Sulfobutylether β‐cyclodextrin: A Stimuli‐Responsive Fluorescence Sensor for Tyramine.

Fundamental Properties of Transition‐Metals‐Adsorbed Graphene.

Structure and Density Comparison of Noble Gas Hydrates Encapsulating Xenon, Krypton and Argon.

Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations.

Emerging Two‐Dimensional Nanomaterials for Cancer Therapy.

Molecular Electron Density Distribution and X‐Ray Diffraction Patterns of Smectic A Liquid Crystals – A Simulation Study.

Periodic DFT Study of the Effects of Co‐Crystallization on a N‐Salicylideneaniline Molecular Switch.